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

C165H293N23O18S7 — CID 159996257

About 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

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 (PubChem CID 159996257) has the molecular formula C165H293N23O18S7 and a molecular weight of 3111.77 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159996257
• Molecular Formula: C165H293N23O18S7
• Molecular Weight: 3111.77 g/mol
• Exact Mass: 3109.08
• IUPAC Name: 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
• SMILES: CCN1CCC(CN2C(=O)C(NC)CCC3CCCC32)CC1.CCN1CCCC(CN2C(=O)C(NC)CCC3CCCC32)C1.CCN1CCCCCC1CN1C(=O)C(NC)CCC2CCCC21.CNC1CCC2CCCC2N(CC2CCCCS2)C1=O.CNC1CCC2CCCC2N(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCC2CCCC2N(CC2CCCS2(=O)=O)C1=O.CNC1CCC2CCCC2N(CC2CCCSC2)C1=O.CNC1CCC2CCCC2N(CC2CCS(=O)(=O)C2)C1=O.CNC1CCC2CCCC2N(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCC2CCCC2N(CC2CCSCC2)C1=O
• InChI: InChI=1S/C19H35N3O.2C18H33N3O.2C16H28N2O3S.3C16H28N2OS.2C15H26N2O3S/c1-3-21-13-6-4-5-9-16(21)14-22-18-10-7-8-15(18)11-12-17(20-2)19(22)23;1-3-20-11-5-6-14(12-20)13-21-17-8-4-7-15(17)9-10-16(19-2)18(21)22;1-3-20-11-9-14(10-12-20)13-21-17-6-4-5-15(17)7-8-16(19-2)18(21)22;1-17-14-8-7-13-5-2-6-15(13)18(16(14)19)10-12-4-3-9-22(20,21)11-12;1-17-14-6-5-13-3-2-4-15(13)18(16(14)19)11-12-7-9-22(20,21)10-8-12;1-17-14-8-7-13-5-2-6-15(13)18(16(14)19)10-12-4-3-9-20-11-12;1-17-14-9-8-12-5-4-7-15(12)18(16(14)19)11-13-6-2-3-10-20-13;1-17-14-6-5-13-3-2-4-15(13)18(16(14)19)11-12-7-9-20-10-8-12;1-16-13-8-7-11-4-2-6-14(11)17(15(13)18)10-12-5-3-9-21(12,19)20;1-16-13-6-5-12-3-2-4-14(12)17(15(13)18)9-11-7-8-21(19,20)10-11/h15-18,20H,3-14H2,1-2H3;2*14-17,19H,3-13H2,1-2H3;2*12-15,17H,2-11H2,1H3;3*12-15,17H,2-11H2,1H3;2*11-14,16H,2-10H2,1H3
• InChIKey: OHORMDSTGPYEGX-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 469.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3111.77
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCN1CCC(CN2C(=O)C(NC)CCC3CCCC32)CC1.CCN1CCCC(CN2C(=O)C(NC)CCC3CCCC32)C1.CCN1CCCCCC1CN1C(=O)C(NC)CCC2CCCC21.CNC1CCC2CCCC2N(CC2CCCCS2)C1=O.CNC1CCC2CCCC2N(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCC2CCCC2N(CC2CCCS2(=O)=O)C1=O.CNC1CCC2CCCC2N(CC2CCCSC2)C1=O.CNC1CCC2CCCC2N(CC2CCS(=O)(=O)C2)C1=O.CNC1CCC2CCCC2N(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCC2CCCC2N(CC2CCSCC2)C1=O.

What is the InChIKey of 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?

The InChIKey is OHORMDSTGPYEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O.2C18H33N3O.2C16H28N2O3S.3C16H28N2OS.2C15H26N2O3S/c1-3-21-13-6-4-5-9-16(21)14-22-18-10-7-8-15(18)11-12-17(20-2)19(22)23;1-3-20-11-5-6-14(12-20)13-21-17-8-4-7-15(17)9-10-16(19-2)18(21)22;1-3-20-11-9-14(10-12-20)13-21-17-6-4-5-15(17)7-8-16(19-2)18(21)22;1-17-14-8-7-13-5-2-6-15(13)18(16(14)19)10-12-4-3-9-22(20,21)11-12;1-17-14-6-5-13-3-2-4-15(13)18(16(14)19)11-12-7-9-22(20,21)10-8-12;1-17-14-8-7-13-5-2-6-15(13)18(16(14)19)10-12-4-3-9-20-11-12;1-17-14-9-8-12-5-4-7-15(12)18(16(14)19)11-13-6-2-3-10-20-13;1-17-14-6-5-13-3-2-4-15(13)18(16(14)19)11-12-7-9-20-10-8-12;1-16-13-8-7-11-4-2-6-14(11)17(15(13)18)10-12-5-3-9-21(12,19)20;1-16-13-6-5-12-3-2-4-14(12)17(15(13)18)9-11-7-8-21(19,20)10-11/h15-18,20H,3-14H2,1-2H3;2*14-17,19H,3-13H2,1-2H3;2*12-15,17H,2-11H2,1H3;3*12-15,17H,2-11H2,1H3;2*11-14,16H,2-10H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 3111.77 g/mol, XLogP of 18.62, 33 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159996257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).