N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide

C15H22N2O2S — CID 101399324

IUPACN-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)17-13(9-16)15(4,5)6/h7-8,13,17H,1-6H3/t13-/m1/s1
InChIKeyHLWTWTVHCMMWNM-CYBMUJFWSA-N
MW294.42 g/mol
LogP2.83
Rot. Bonds3

About N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide

N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 101399324) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID101399324
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)17-13(9-16)15(4,5)6/h7-8,13,17H,1-6H3/t13-/m1/s1
InChIKeyHLWTWTVHCMMWNM-CYBMUJFWSA-N
XLogP2.83
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 43468075
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
2-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 61263608
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
N-(2-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 65112843
2-tert-butylsulfonyl-1,3,5-trimethylbenzene
CID 4069856
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
[(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propyl] 2,4,6-trimethylbenzenesulfonate
CID 86629199
N-[(Z,3S,6S)-5-bromo-6-hydroxy-2-methylhept-4-en-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 10894734

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide (CID 101399324) is N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c(C)c1.
What is the InChIKey of N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HLWTWTVHCMMWNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-7-11(2)14(12(3)8-10)20(18,19)17-13(9-16)15(4,5)6/h7-8,13,17H,1-6H3/t13-/m1/s1.
What are the key properties of N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 294.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyano-2,2-dimethylpropyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 101399324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).