1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid

C79H90N6O15S3 — CID 159346756

About 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid

1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid (PubChem CID 159346756) has the molecular formula C79H90N6O15S3 and a molecular weight of 1459.82 g/mol. Its IUPAC name is 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid.

Molecular Properties

• Compound Name: 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid
• PubChem CID: 159346756
• Molecular Formula: C79H90N6O15S3
• Molecular Weight: 1459.82 g/mol
• Exact Mass: 1458.56
• IUPAC Name: 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid
• SMILES: CC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.COc1ccc(Cn2c3c(c4cc(C(=O)NC5CCS(=O)(=O)C5)ccc42)C2(CC2)CC(C)(C)C3=O)cc1.COc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C2(CC2)CC(C)(C)C3=O)cc1.NC1CCS(=O)(=O)C1
• InChI: InChI=1S/C29H32N2O5S.C25H25NO4.C21H24N2O4S.C4H9NO2S/c1-28(2)17-29(11-12-29)24-22-14-19(27(33)30-20-10-13-37(34,35)16-20)6-9-23(22)31(25(24)26(28)32)15-18-4-7-21(36-3)8-5-18;1-24(2)14-25(10-11-25)20-18-12-16(23(28)29)6-9-19(18)26(21(20)22(24)27)13-15-4-7-17(30-3)8-5-15;1-20(2)11-21(6-7-21)16-14-9-12(3-4-15(14)23-17(16)18(20)24)19(25)22-13-5-8-28(26,27)10-13;5-4-1-2-8(6,7)3-4/h4-9,14,20H,10-13,15-17H2,1-3H3,(H,30,33);4-9,12H,10-11,13-14H2,1-3H3,(H,28,29);3-4,9,13,23H,5-8,10-11H2,1-2H3,(H,22,25);4H,1-3,5H2
• InChIKey: LGUZNZDKCDSODX-UHFFFAOYSA-N
• XLogP: 11.16
• TPSA: 319.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1459.82
LogP ≤ 5	11.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid?

The IUPAC name of 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid (CID 159346756) is 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid.

What is the SMILES notation for 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid?

The canonical SMILES for 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid is CC1(C)CC2(CC2)c2c([nH]c3ccc(C(=O)NC4CCS(=O)(=O)C4)cc23)C1=O.COc1ccc(Cn2c3c(c4cc(C(=O)NC5CCS(=O)(=O)C5)ccc42)C2(CC2)CC(C)(C)C3=O)cc1.COc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C2(CC2)CC(C)(C)C3=O)cc1.NC1CCS(=O)(=O)C1.

What is the InChIKey of 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid?

The InChIKey is LGUZNZDKCDSODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5S.C25H25NO4.C21H24N2O4S.C4H9NO2S/c1-28(2)17-29(11-12-29)24-22-14-19(27(33)30-20-10-13-37(34,35)16-20)6-9-23(22)31(25(24)26(28)32)15-18-4-7-21(36-3)8-5-18;1-24(2)14-25(10-11-25)20-18-12-16(23(28)29)6-9-19(18)26(21(20)22(24)27)13-15-4-7-17(30-3)8-5-15;1-20(2)11-21(6-7-21)16-14-9-12(3-4-15(14)23-17(16)18(20)24)19(25)22-13-5-8-28(26,27)10-13;5-4-1-2-8(6,7)3-4/h4-9,14,20H,10-13,15-17H2,1-3H3,(H,30,33);4-9,12H,10-11,13-14H2,1-3H3,(H,28,29);3-4,9,13,23H,5-8,10-11H2,1-2H3,(H,22,25);4H,1-3,5H2.

What are the key properties of 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid?

1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid has a molecular weight of 1459.82 g/mol, XLogP of 11.16, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-dioxothiolan-3-amine;N-(1,1-dioxothiolan-3-yl)-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;N-(1,1-dioxothiolan-3-yl)-9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxamide;9-[(4-methoxyphenyl)methyl]-7,7-dimethyl-8-oxospiro[6H-carbazole-5,1'-cyclopropane]-3-carboxylic acid is sourced from PubChem (CID 159346756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).