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

C153H280N26O47S18 — CID 159937832

IUPACtris(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
SMILESCNC1CS(=O)(=O)CCN(CC2CCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCOC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS2(=O)=O)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCSC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCOC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCOCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCSC2)C1=O.CNC1CS(=O)(=O)CCN(CC2COC2)C1=O
InChIInChI=1S/3C13H24N2O3S.C12H22N2O5S2.2C12H22N2O4S.C12H22N2O3S2.C12H22N2O3S.C11H20N2O5S2.C11H20N2O4S.2C11H20N2O3S2.C10H18N2O4S/c3*1-14-12-10-19(17,18)8-7-15(13(12)16)9-11-5-3-2-4-6-11;1-13-11-9-21(18,19)6-4-14(12(11)15)7-10-3-2-5-20(16,17)8-10;1-13-11-9-19(16,17)7-4-14(12(11)15)8-10-2-5-18-6-3-10;2*1-13-11-9-19(16,17)6-4-14(12(11)15)7-10-3-2-5-18-8-10;1-13-11-9-18(16,17)7-6-14(12(11)15)8-10-4-2-3-5-10;1-12-10-8-19(15,16)6-4-13(11(10)14)7-9-3-2-5-20(9,17)18;2*1-12-10-8-18(15,16)5-3-13(11(10)14)6-9-2-4-17-7-9;1-12-10-8-18(15,16)6-4-13(11(10)14)7-9-3-2-5-17-9;1-11-9-7-17(14,15)3-2-12(10(9)13)4-8-5-16-6-8/h3*11-12,14H,2-10H2,1H3;10-11,13H,2-9H2,1H3;3*10-11,13H,2-9H2,1H3;10-11,13H,2-9H2,1H3;9-10,12H,2-8H2,1H3;3*9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3
InChIKeyOAMGJJVITIWYJL-UHFFFAOYSA-N
MW3813.26 g/mol
LogP-6.53
Rot. Bonds39

About 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

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 (PubChem CID 159937832) has the molecular formula C153H280N26O47S18 and a molecular weight of 3813.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametris(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
PubChem CID159937832
Molecular FormulaC153H280N26O47S18
Molecular Weight3813.26 g/mol
Exact Mass3809.53
IUPAC Nametris(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
SMILESCNC1CS(=O)(=O)CCN(CC2CCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCOC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS2(=O)=O)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCSC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCOC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCOCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCSC2)C1=O.CNC1CS(=O)(=O)CCN(CC2COC2)C1=O
InChIInChI=1S/3C13H24N2O3S.C12H22N2O5S2.2C12H22N2O4S.C12H22N2O3S2.C12H22N2O3S.C11H20N2O5S2.C11H20N2O4S.2C11H20N2O3S2.C10H18N2O4S/c3*1-14-12-10-19(17,18)8-7-15(13(12)16)9-11-5-3-2-4-6-11;1-13-11-9-21(18,19)6-4-14(12(11)15)7-10-3-2-5-20(16,17)8-10;1-13-11-9-19(16,17)7-4-14(12(11)15)8-10-2-5-18-6-3-10;2*1-13-11-9-19(16,17)6-4-14(12(11)15)7-10-3-2-5-18-8-10;1-13-11-9-18(16,17)7-6-14(12(11)15)8-10-4-2-3-5-10;1-12-10-8-19(15,16)6-4-13(11(10)14)7-9-3-2-5-20(9,17)18;2*1-12-10-8-18(15,16)5-3-13(11(10)14)6-9-2-4-17-7-9;1-12-10-8-18(15,16)6-4-13(11(10)14)7-9-3-2-5-17-9;1-11-9-7-17(14,15)3-2-12(10(9)13)4-8-5-16-6-8/h3*11-12,14H,2-10H2,1H3;10-11,13H,2-9H2,1H3;3*10-11,13H,2-9H2,1H3;10-11,13H,2-9H2,1H3;9-10,12H,2-8H2,1H3;3*9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3
InChIKeyOAMGJJVITIWYJL-UHFFFAOYSA-N
XLogP-6.53
TPSA969.44 Ų
H-Bond Donors13
H-Bond Acceptors63
Rotatable Bonds39
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003813.26
LogP ≤ 5-6.53
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1063

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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-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
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-[(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
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
4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
CID 22984950
6-tert-butyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-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;6-ethyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;3-(methylamino)-1-(oxan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxan-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxolan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;8-(methylamino)-6-propan-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-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;3-(methylamino)-1-(thiolan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thiolan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;6-methyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 160631944
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
4-(cyclopentylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one
CID 22985036
1-tert-butyl-3-(methylamino)azepan-2-one;1-[2-(dimethylamino)ethyl]-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;1-(2-hydroxypropyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(2-methylbutan-2-yl)azepan-2-one;3-(methylamino)-1-(2-methylpropyl)azepan-2-one;8-(methylamino)-6-(oxan-4-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;1-methyl-3-(methylamino)azepan-2-one
CID 159393578

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC1CS(=O)(=O)CCN(CC2CCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCOC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS(=O)(=O)C2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS2(=O)=O)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCS2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCCSC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCOC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCOCC2)C1=O.CNC1CS(=O)(=O)CCN(CC2CCSC2)C1=O.CNC1CS(=O)(=O)CCN(CC2COC2)C1=O.
What is the InChIKey of 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?
The InChIKey is OAMGJJVITIWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H24N2O3S.C12H22N2O5S2.2C12H22N2O4S.C12H22N2O3S2.C12H22N2O3S.C11H20N2O5S2.C11H20N2O4S.2C11H20N2O3S2.C10H18N2O4S/c3*1-14-12-10-19(17,18)8-7-15(13(12)16)9-11-5-3-2-4-6-11;1-13-11-9-21(18,19)6-4-14(12(11)15)7-10-3-2-5-20(16,17)8-10;1-13-11-9-19(16,17)7-4-14(12(11)15)8-10-2-5-18-6-3-10;2*1-13-11-9-19(16,17)6-4-14(12(11)15)7-10-3-2-5-18-8-10;1-13-11-9-18(16,17)7-6-14(12(11)15)8-10-4-2-3-5-10;1-12-10-8-19(15,16)6-4-13(11(10)14)7-9-3-2-5-20(9,17)18;2*1-12-10-8-18(15,16)5-3-13(11(10)14)6-9-2-4-17-7-9;1-12-10-8-18(15,16)6-4-13(11(10)14)7-9-3-2-5-17-9;1-11-9-7-17(14,15)3-2-12(10(9)13)4-8-5-16-6-8/h3*11-12,14H,2-10H2,1H3;10-11,13H,2-9H2,1H3;3*10-11,13H,2-9H2,1H3;10-11,13H,2-9H2,1H3;9-10,12H,2-8H2,1H3;3*9-10,12H,2-8H2,1H3;8-9,11H,2-7H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 3813.26 g/mol, XLogP of -6.53, 39 rotatable bonds, 13 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159937832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).