1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one

C171H321N27O20S5 — CID 158661421

IUPAC1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
SMILESCCN1CCC(CN2CC(C)CCC(NC)C2=O)CC1.CCN1CCCC(CN2CC(C)CCC(NC)C2=O)C1.CCN1CCCCCC1CN1CC(C)CCC(NC)C1=O.CNC1CCC(C)CN(CC2CCCCCS2)C1=O.CNC1CCC(C)CN(CC2CCCOC2)C1=O.CNC1CCC(C)CN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCC(C)CN(CC2CCCS2)C1=O.CNC1CCC(C)CN(CC2CCOC2)C1=O.CNC1CCC(C)CN(CC2CCOCC2)C1=O.CNC1CCC(C)CN(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCC(C)CN(CC2CCSC2)C1=O.CNC1CCC(C)CN(CC2COC2)C1=O
InChIInChI=1S/C17H33N3O.2C16H31N3O.C15H28N2OS.2C14H26N2O3S.2C14H26N2O2.C13H24N2O2.2C13H24N2OS.C12H22N2O2/c1-4-19-11-7-5-6-8-15(19)13-20-12-14(2)9-10-16(18-3)17(20)21;1-4-18-9-7-14(8-10-18)12-19-11-13(2)5-6-15(17-3)16(19)20;1-4-18-9-5-6-14(11-18)12-19-10-13(2)7-8-15(17-3)16(19)20;1-12-7-8-14(16-2)15(18)17(10-12)11-13-6-4-3-5-9-19-13;1-11-3-4-13(15-2)14(17)16(9-11)10-12-5-7-20(18,19)8-6-12;1-11-5-6-13(15-2)14(17)16(8-11)9-12-4-3-7-20(18,19)10-12;1-11-3-4-13(15-2)14(17)16(9-11)10-12-5-7-18-8-6-12;1-11-5-6-13(15-2)14(17)16(8-11)9-12-4-3-7-18-10-12;2*1-10-3-4-12(14-2)13(16)15(7-10)8-11-5-6-17-9-11;1-10-5-6-12(14-2)13(16)15(8-10)9-11-4-3-7-17-11;1-9-3-4-11(13-2)12(15)14(5-9)6-10-7-16-8-10/h14-16,18H,4-13H2,1-3H3;2*13-15,17H,4-12H2,1-3H3;12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;3*10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3
InChIKeyICUODUPUGPSUBX-UHFFFAOYSA-N
MW3235.95 g/mol
LogP16.23
Rot. Bonds39

About 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one

1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one (PubChem CID 158661421) has the molecular formula C171H321N27O20S5 and a molecular weight of 3235.95 g/mol. Its IUPAC name is 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
PubChem CID158661421
Molecular FormulaC171H321N27O20S5
Molecular Weight3235.95 g/mol
Exact Mass3233.35
IUPAC Name1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
SMILESCCN1CCC(CN2CC(C)CCC(NC)C2=O)CC1.CCN1CCCC(CN2CC(C)CCC(NC)C2=O)C1.CCN1CCCCCC1CN1CC(C)CCC(NC)C1=O.CNC1CCC(C)CN(CC2CCCCCS2)C1=O.CNC1CCC(C)CN(CC2CCCOC2)C1=O.CNC1CCC(C)CN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCC(C)CN(CC2CCCS2)C1=O.CNC1CCC(C)CN(CC2CCOC2)C1=O.CNC1CCC(C)CN(CC2CCOCC2)C1=O.CNC1CCC(C)CN(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCC(C)CN(CC2CCSC2)C1=O.CNC1CCC(C)CN(CC2COC2)C1=O
InChIInChI=1S/C17H33N3O.2C16H31N3O.C15H28N2OS.2C14H26N2O3S.2C14H26N2O2.C13H24N2O2.2C13H24N2OS.C12H22N2O2/c1-4-19-11-7-5-6-8-15(19)13-20-12-14(2)9-10-16(18-3)17(20)21;1-4-18-9-7-14(8-10-18)12-19-11-13(2)5-6-15(17-3)16(19)20;1-4-18-9-5-6-14(11-18)12-19-10-13(2)7-8-15(17-3)16(19)20;1-12-7-8-14(16-2)15(18)17(10-12)11-13-6-4-3-5-9-19-13;1-11-3-4-13(15-2)14(17)16(9-11)10-12-5-7-20(18,19)8-6-12;1-11-5-6-13(15-2)14(17)16(8-11)9-12-4-3-7-20(18,19)10-12;1-11-3-4-13(15-2)14(17)16(9-11)10-12-5-7-18-8-6-12;1-11-5-6-13(15-2)14(17)16(8-11)9-12-4-3-7-18-10-12;2*1-10-3-4-12(14-2)13(16)15(7-10)8-11-5-6-17-9-11;1-10-5-6-12(14-2)13(16)15(8-10)9-11-4-3-7-17-11;1-9-3-4-11(13-2)12(15)14(5-9)6-10-7-16-8-10/h14-16,18H,4-13H2,1-3H3;2*13-15,17H,4-12H2,1-3H3;12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;3*10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3
InChIKeyICUODUPUGPSUBX-UHFFFAOYSA-N
XLogP16.23
TPSA503.00 Ų
H-Bond Donors12
H-Bond Acceptors38
Rotatable Bonds39
Heavy Atoms223
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003235.95
LogP ≤ 516.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1038

Analyze 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one with MolForge

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Related Compounds

3-[(1,1-dioxothian-3-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1,1-dioxothian-4-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylazepan-2-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylpiperidin-3-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylpiperidin-4-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxolan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(thiepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 162088580
4-[(1,1-dioxothian-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothian-4-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(oxolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thian-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-4-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxetan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one
CID 162263412
1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
CID 159863035
1-[(1,1-dioxothian-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothian-4-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylazepan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 159996257
bis(3-[(1,1-dioxothian-2-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one);3-[(1,1-dioxothian-3-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;bis(3-[(1-ethylazepan-2-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one);3-[(1-ethylazepan-3-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylpiperidin-3-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylpiperidin-4-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxetan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxiran-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxolan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(thiepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 161297833
tris(4-(cyclohexylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one);4-(cyclopentylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothian-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(oxolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thian-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-4-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxetan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one
CID 159937832
1-[(1,1-dioxothiolan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one
CID 159524813
6-[(1,1-dioxothian-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothian-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylazepan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylpiperidin-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxetan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxiran-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxolan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 158607058
tris(1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one);1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
CID 160610876
1-tert-butyl-3-(methylamino)azepan-2-one;6-[(1,1-dioxothiolan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;1-ethyl-3-(methylamino)azepan-2-one;8-(methylamino)-6-(oxan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;3-(methylamino)-1-propan-2-ylazepan-2-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiolan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 158582865
1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
CID 157187055
6-tert-butyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-ethyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-propan-2-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thiolan-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thiolan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-methyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 159032871

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
The IUPAC name of 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one (CID 158661421) is 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
The canonical SMILES for 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one is CCN1CCC(CN2CC(C)CCC(NC)C2=O)CC1.CCN1CCCC(CN2CC(C)CCC(NC)C2=O)C1.CCN1CCCCCC1CN1CC(C)CCC(NC)C1=O.CNC1CCC(C)CN(CC2CCCCCS2)C1=O.CNC1CCC(C)CN(CC2CCCOC2)C1=O.CNC1CCC(C)CN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCC(C)CN(CC2CCCS2)C1=O.CNC1CCC(C)CN(CC2CCOC2)C1=O.CNC1CCC(C)CN(CC2CCOCC2)C1=O.CNC1CCC(C)CN(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCC(C)CN(CC2CCSC2)C1=O.CNC1CCC(C)CN(CC2COC2)C1=O.
What is the InChIKey of 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
The InChIKey is ICUODUPUGPSUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.2C16H31N3O.C15H28N2OS.2C14H26N2O3S.2C14H26N2O2.C13H24N2O2.2C13H24N2OS.C12H22N2O2/c1-4-19-11-7-5-6-8-15(19)13-20-12-14(2)9-10-16(18-3)17(20)21;1-4-18-9-7-14(8-10-18)12-19-11-13(2)5-6-15(17-3)16(19)20;1-4-18-9-5-6-14(11-18)12-19-10-13(2)7-8-15(17-3)16(19)20;1-12-7-8-14(16-2)15(18)17(10-12)11-13-6-4-3-5-9-19-13;1-11-3-4-13(15-2)14(17)16(9-11)10-12-5-7-20(18,19)8-6-12;1-11-5-6-13(15-2)14(17)16(8-11)9-12-4-3-7-20(18,19)10-12;1-11-3-4-13(15-2)14(17)16(9-11)10-12-5-7-18-8-6-12;1-11-5-6-13(15-2)14(17)16(8-11)9-12-4-3-7-18-10-12;2*1-10-3-4-12(14-2)13(16)15(7-10)8-11-5-6-17-9-11;1-10-5-6-12(14-2)13(16)15(8-10)9-11-4-3-7-17-11;1-9-3-4-11(13-2)12(15)14(5-9)6-10-7-16-8-10/h14-16,18H,4-13H2,1-3H3;2*13-15,17H,4-12H2,1-3H3;12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;3*10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one has a molecular weight of 3235.95 g/mol, XLogP of 16.23, 39 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one is sourced from PubChem (CID 158661421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).