5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide

C21H24N2O3S — CID 144535029

IUPAC5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
SMILESCC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCS(=O)C4)cc3c21
InChIInChI=1S/C21H24N2O3S/c1-20(2)11-21(6-7-21)18(24)17-16(20)14-9-12(3-4-15(14)23-17)19(25)22-13-5-8-27(26)10-13/h3-4,9,13,23H,5-8,10-11H2,1-2H3,(H,22,25)
InChIKeyXDANRLFMUITICE-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.06
Rot. Bonds2

About 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide

5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide (PubChem CID 144535029) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
PubChem CID144535029
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
SMILESCC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCS(=O)C4)cc3c21
InChIInChI=1S/C21H24N2O3S/c1-20(2)11-21(6-7-21)18(24)17-16(20)14-9-12(3-4-15(14)23-17)19(25)22-13-5-8-27(26)10-13/h3-4,9,13,23H,5-8,10-11H2,1-2H3,(H,22,25)
InChIKeyXDANRLFMUITICE-UHFFFAOYSA-N
XLogP3.06
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide with MolForge

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Related Compounds

N-(2-aminoethyl)-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
CID 71276477
tert-butyl 3-[(7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carbonyl)amino]pyrrolidine-1-carboxylate
CID 71276410
2,2,4,4-tetramethyl-6-[1-(pyrrolidin-3-ylamino)ethenyl]-3,9-dihydrocarbazol-1-one
CID 89418620
6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
CID 71276412
N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;7,7-dimethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclopropane]-3-carboxamide;pyridine-2-carboxylic acid
CID 159311915
5,5-dimethyl-N-pyrrolidin-3-yl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609410
5,5-dimethyl-N-[(3S)-oxolan-3-yl]-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide
CID 136609416
5,5,7-trimethyl-8-oxo-7,9-dihydro-6H-carbazole-3-carboxylic acid
CID 71276444
15,15-dimethyl-N-pyrrolidin-3-yl-8,11-diaza-12-azoniatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),3,5,10,13-hexaene-4-carboxamide
CID 144534986
2-hydroxy-5-methyl-N-[(1S,3R)-1-oxothiolan-3-yl]benzamide
CID 96525480
3-methoxy-N-[(1S,3R)-1-oxothiolan-3-yl]-4-prop-2-enoxybenzamide
CID 96521359
4-fluoro-N-(1-oxothian-4-yl)benzamide
CID 115886679

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
The IUPAC name of 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide (CID 144535029) is 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide.
What is the SMILES notation for 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
The canonical SMILES for 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide is CC1(C)CC2(CC2)C(=O)c2[nH]c3ccc(C(=O)NC4CCS(=O)C4)cc3c21.
What is the InChIKey of 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
The InChIKey is XDANRLFMUITICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-20(2)11-21(6-7-21)18(24)17-16(20)14-9-12(3-4-15(14)23-17)19(25)22-13-5-8-27(26)10-13/h3-4,9,13,23H,5-8,10-11H2,1-2H3,(H,22,25).
What are the key properties of 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide?
5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-oxo-N-(1-oxothiolan-3-yl)spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 144535029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).