N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

C18H24N2O3S — CID 7287036

IUPACN-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C18H24N2O3S/c1-12-5-2-3-7-16(12)19-24(22,23)15-9-13-6-4-8-20-17(21)11-14(10-15)18(13)20/h9-10,12,16,19H,2-8,11H2,1H3/t12-,16-/m0/s1
InChIKeyNNBMQISDUJUFRS-LRDDRELGSA-N
MW348.47 g/mol
LogP2.38
Rot. Bonds3

About N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide

N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (PubChem CID 7287036) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
PubChem CID7287036
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
SMILESC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C18H24N2O3S/c1-12-5-2-3-7-16(12)19-24(22,23)15-9-13-6-4-8-20-17(21)11-14(10-15)18(13)20/h9-10,12,16,19H,2-8,11H2,1H3/t12-,16-/m0/s1
InChIKeyNNBMQISDUJUFRS-LRDDRELGSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methylcyclohexyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 22584708
N-(3-chloro-4-methoxyphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287022
N-(3-chloro-4-fluorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287011
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287024
N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 43119924
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
1-(cyclobutanecarbonyl)-N-(2-methylcyclohexyl)-2,3-dihydroindole-5-sulfonamide
CID 20853272
N-butyl-N-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7286937
3-amino-5-fluoro-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116791968
N-(3,5-dichlorophenyl)-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-sulfonamide
CID 7527106

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide (CID 7287036) is N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
The InChIKey is NNBMQISDUJUFRS-LRDDRELGSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-12-5-2-3-7-16(12)19-24(22,23)15-9-13-6-4-8-20-17(21)11-14(10-15)18(13)20/h9-10,12,16,19H,2-8,11H2,1H3/t12-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide?
N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide has a molecular weight of 348.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide is sourced from PubChem (CID 7287036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).