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

C146H255N23O18S3 — CID 162088580

IUPAC3-[(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
SMILESCCN1CCC(CN2CC3CC3CC(NC)C2=O)CC1.CCN1CCCC(CN2CC3CC3CC(NC)C2=O)C1.CCN1CCCCCC1CN1CC2CC2CC(NC)C1=O.CNC1CC2CC2CN(CC2CCCCCO2)C1=O.CNC1CC2CC2CN(CC2CCCCCS2)C1=O.CNC1CC2CC2CN(CC2CCCCO2)C1=O.CNC1CC2CC2CN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CC2CC2CN(CC2CCOC2)C1=O.CNC1CC2CC2CN(CC2CCS(=O)(=O)CC2)C1=O.CNC1CC2CC2CN(CC2COC2)C1=O
InChIInChI=1S/C17H31N3O.2C16H29N3O.C15H26N2O2.C15H26N2OS.2C14H24N2O3S.C14H24N2O2.C13H22N2O2.C12H20N2O2/c1-3-19-8-6-4-5-7-15(19)12-20-11-14-9-13(14)10-16(18-2)17(20)21;1-3-18-6-4-12(5-7-18)10-19-11-14-8-13(14)9-15(17-2)16(19)20;1-3-18-6-4-5-12(9-18)10-19-11-14-7-13(14)8-15(17-2)16(19)20;2*1-16-14-8-11-7-12(11)9-17(15(14)18)10-13-5-3-2-4-6-19-13;1-15-13-7-11-6-12(11)9-16(14(13)17)8-10-2-4-20(18,19)5-3-10;1-15-13-6-11-5-12(11)8-16(14(13)17)7-10-3-2-4-20(18,19)9-10;1-15-13-7-10-6-11(10)8-16(14(13)17)9-12-4-2-3-5-18-12;1-14-12-5-10-4-11(10)7-15(13(12)16)6-9-2-3-17-8-9;1-13-11-3-9-2-10(9)5-14(12(11)15)4-8-6-16-7-8/h13-16,18H,3-12H2,1-2H3;2*12-15,17H,3-11H2,1-2H3;2*11-14,16H,2-10H2,1H3;2*10-13,15H,2-9H2,1H3;10-13,15H,2-9H2,1H3;9-12,14H,2-8H2,1H3;8-11,13H,2-7H2,1H3
InChIKeyZDHINCZIRJCSHU-UHFFFAOYSA-N
MW2716.99 g/mol
LogP9.69
Rot. Bonds33

About 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

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 (PubChem CID 162088580) has the molecular formula C146H255N23O18S3 and a molecular weight of 2716.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID162088580
Molecular FormulaC146H255N23O18S3
Molecular Weight2716.99 g/mol
Exact Mass2714.89
IUPAC Name3-[(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
SMILESCCN1CCC(CN2CC3CC3CC(NC)C2=O)CC1.CCN1CCCC(CN2CC3CC3CC(NC)C2=O)C1.CCN1CCCCCC1CN1CC2CC2CC(NC)C1=O.CNC1CC2CC2CN(CC2CCCCCO2)C1=O.CNC1CC2CC2CN(CC2CCCCCS2)C1=O.CNC1CC2CC2CN(CC2CCCCO2)C1=O.CNC1CC2CC2CN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CC2CC2CN(CC2CCOC2)C1=O.CNC1CC2CC2CN(CC2CCS(=O)(=O)CC2)C1=O.CNC1CC2CC2CN(CC2COC2)C1=O
InChIInChI=1S/C17H31N3O.2C16H29N3O.C15H26N2O2.C15H26N2OS.2C14H24N2O3S.C14H24N2O2.C13H22N2O2.C12H20N2O2/c1-3-19-8-6-4-5-7-15(19)12-20-11-14-9-13(14)10-16(18-2)17(20)21;1-3-18-6-4-12(5-7-18)10-19-11-14-8-13(14)9-15(17-2)16(19)20;1-3-18-6-4-5-12(9-18)10-19-11-14-7-13(14)8-15(17-2)16(19)20;2*1-16-14-8-11-7-12(11)9-17(15(14)18)10-13-5-3-2-4-6-19-13;1-15-13-7-11-6-12(11)9-16(14(13)17)8-10-2-4-20(18,19)5-3-10;1-15-13-6-11-5-12(11)8-16(14(13)17)7-10-3-2-4-20(18,19)9-10;1-15-13-7-10-6-11(10)8-16(14(13)17)9-12-4-2-3-5-18-12;1-14-12-5-10-4-11(10)7-15(13(12)16)6-9-2-3-17-8-9;1-13-11-3-9-2-10(9)5-14(12(11)15)4-8-6-16-7-8/h13-16,18H,3-12H2,1-2H3;2*12-15,17H,3-11H2,1-2H3;2*11-14,16H,2-10H2,1H3;2*10-13,15H,2-9H2,1H3;10-13,15H,2-9H2,1H3;9-12,14H,2-8H2,1H3;8-11,13H,2-7H2,1H3
InChIKeyZDHINCZIRJCSHU-UHFFFAOYSA-N
XLogP9.69
TPSA438.32 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002716.99
LogP ≤ 59.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-(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
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
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
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
bis(1-(cycloheptylmethyl)-5-methyl-3-(methylamino)azepan-2-one);bis(1-(cyclohexylmethyl)-5-methyl-3-(methylamino)azepan-2-one);bis(1-[(1,1-dioxothian-2-yl)methyl]-5-methyl-3-(methylamino)azepan-2-one);5-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;5-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
CID 162260046
tris(1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one);1-(cyclohexylmethyl)-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-3-(methylamino)azepan-2-one);3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;bis(3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one);3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
CID 159522728
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC(CN2CC3CC3CC(NC)C2=O)CC1.CCN1CCCC(CN2CC3CC3CC(NC)C2=O)C1.CCN1CCCCCC1CN1CC2CC2CC(NC)C1=O.CNC1CC2CC2CN(CC2CCCCCO2)C1=O.CNC1CC2CC2CN(CC2CCCCCS2)C1=O.CNC1CC2CC2CN(CC2CCCCO2)C1=O.CNC1CC2CC2CN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CC2CC2CN(CC2CCOC2)C1=O.CNC1CC2CC2CN(CC2CCS(=O)(=O)CC2)C1=O.CNC1CC2CC2CN(CC2COC2)C1=O.
What is the InChIKey of 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?
The InChIKey is ZDHINCZIRJCSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O.2C16H29N3O.C15H26N2O2.C15H26N2OS.2C14H24N2O3S.C14H24N2O2.C13H22N2O2.C12H20N2O2/c1-3-19-8-6-4-5-7-15(19)12-20-11-14-9-13(14)10-16(18-2)17(20)21;1-3-18-6-4-12(5-7-18)10-19-11-14-8-13(14)9-15(17-2)16(19)20;1-3-18-6-4-5-12(9-18)10-19-11-14-7-13(14)8-15(17-2)16(19)20;2*1-16-14-8-11-7-12(11)9-17(15(14)18)10-13-5-3-2-4-6-19-13;1-15-13-7-11-6-12(11)9-16(14(13)17)8-10-2-4-20(18,19)5-3-10;1-15-13-6-11-5-12(11)8-16(14(13)17)7-10-3-2-4-20(18,19)9-10;1-15-13-7-10-6-11(10)8-16(14(13)17)9-12-4-2-3-5-18-12;1-14-12-5-10-4-11(10)7-15(13(12)16)6-9-2-3-17-8-9;1-13-11-3-9-2-10(9)5-14(12(11)15)4-8-6-16-7-8/h13-16,18H,3-12H2,1-2H3;2*12-15,17H,3-11H2,1-2H3;2*11-14,16H,2-10H2,1H3;2*10-13,15H,2-9H2,1H3;10-13,15H,2-9H2,1H3;9-12,14H,2-8H2,1H3;8-11,13H,2-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2716.99 g/mol, XLogP of 9.69, 33 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162088580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).