N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide

C16H26N2O2S — CID 43749905

IUPACN-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H26N2O2S/c1-12-9-13(11-16(2,3)10-12)18-14-7-5-6-8-15(14)21(19,20)17-4/h5-8,12-13,17-18H,9-11H2,1-4H3
InChIKeyVORLHVLOWQZZCW-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide

N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide (PubChem CID 43749905) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide
PubChem CID43749905
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H26N2O2S/c1-12-9-13(11-16(2,3)10-12)18-14-7-5-6-8-15(14)21(19,20)17-4/h5-8,12-13,17-18H,9-11H2,1-4H3
InChIKeyVORLHVLOWQZZCW-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64753384
2-[(3,3-dimethylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 80705108
2-(cyclopropylamino)-N-methylbenzenesulfonamide
CID 43454291
2-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]benzene-1,2-diamine
CID 118318364
methyl 2-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321992
2-methyl-5-methylsulfonyl-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43685145
2-[(4-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 43749872
2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63418656
1-amino-9,10-dioxo-4-[(3,3,5-trimethylcyclohexyl)amino]anthracene-2-sulfonic acid;methane
CID 159730242
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668
N-methyl-2-[(2-methylpiperidin-3-yl)amino]benzenesulfonamide
CID 114695588
2,6-difluoro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 43123923

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide (CID 43749905) is N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1NC1CC(C)CC(C)(C)C1.
What is the InChIKey of N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is VORLHVLOWQZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-9-13(11-16(2,3)10-12)18-14-7-5-6-8-15(14)21(19,20)17-4/h5-8,12-13,17-18H,9-11H2,1-4H3.
What are the key properties of N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide?
N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 43749905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).