11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C20H28N2O3S — CID 7526395

IUPAC11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC[C@@H]1C[C@H](NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC(C)(C)C1
InChIInChI=1S/C20H28N2O3S/c1-13-8-16(12-20(2,3)11-13)21-26(24,25)17-9-14-4-5-18(23)22-7-6-15(10-17)19(14)22/h9-10,13,16,21H,4-8,11-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyTVSGZVYNTALTGJ-CJNGLKHVSA-N
MW376.52 g/mol
LogP3.02
Rot. Bonds3

About 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7526395) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound Name11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7526395
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC Name11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC[C@@H]1C[C@H](NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC(C)(C)C1
InChIInChI=1S/C20H28N2O3S/c1-13-8-16(12-20(2,3)11-13)21-26(24,25)17-9-14-4-5-18(23)22-7-6-15(10-17)19(14)22/h9-10,13,16,21H,4-8,11-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyTVSGZVYNTALTGJ-CJNGLKHVSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide with MolForge

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Related Compounds

11-oxo-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7526397
4-bromo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzenesulfonamide
CID 7028487
N-(2-methylbutan-2-yl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 46345013
11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonyl fluoride
CID 154832130
2,3,5,6-tetramethyl-N-(3,3,5-trimethylcyclohexyl)benzenesulfonamide
CID 19682030
6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 7526386
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 99873127
N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287036
N-(2-methylcyclohexyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 22584708
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)methanesulfonamide
CID 6852089
6-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 19612122
N-(4-ethoxyphenyl)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7526394

Frequently Asked Questions

What is the IUPAC name of 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7526395) is 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is C[C@@H]1C[C@H](NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC(C)(C)C1.
What is the InChIKey of 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is TVSGZVYNTALTGJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-13-8-16(12-20(2,3)11-13)21-26(24,25)17-9-14-4-5-18(23)22-7-6-15(10-17)19(14)22/h9-10,13,16,21H,4-8,11-12H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7526395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).