N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide

C15H24N2O2S — CID 64776794

IUPACN-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
SMILESCC1CCC(Nc2cccc(NS(C)(=O)=O)c2)C(C)C1
InChIInChI=1S/C15H24N2O2S/c1-11-7-8-15(12(2)9-11)16-13-5-4-6-14(10-13)17-20(3,18)19/h4-6,10-12,15-17H,7-9H2,1-3H3
InChIKeyWHGIGTCYYLFLKS-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.29
Rot. Bonds4

About N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide

N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide (PubChem CID 64776794) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
PubChem CID64776794
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
SMILESCC1CCC(Nc2cccc(NS(C)(=O)=O)c2)C(C)C1
InChIInChI=1S/C15H24N2O2S/c1-11-7-8-15(12(2)9-11)16-13-5-4-6-14(10-13)17-20(3,18)19/h4-6,10-12,15-17H,7-9H2,1-3H3
InChIKeyWHGIGTCYYLFLKS-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,4R)-2,4-dimethylcyclohexyl]-3-(methylsulfonylmethyl)aniline
CID 129374172
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
N-[3-[(2-methylthiolan-3-yl)amino]phenyl]methanesulfonamide
CID 102671165
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
CID 64761440
3-[(2,4-dimethylcyclohexyl)amino]benzonitrile
CID 64776776
N-[3-(cyclopentylamino)phenyl]methanesulfonamide
CID 28731342
5-[(2,4-dimethylcyclohexyl)amino]-N,2-dimethylbenzenesulfonamide
CID 64761633
N-[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]methanesulfonamide
CID 43131792
N-(2,4-dimethylcyclohexyl)-2-methylsulfonylaniline
CID 63996716
N-(2,4-dimethylcyclohexyl)-3-(pyrazol-1-ylmethyl)aniline
CID 64761861
N-(2,4-dimethylcyclohexyl)-3-(1-methyltetrazol-5-yl)aniline
CID 64760414

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide (CID 64776794) is N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide is CC1CCC(Nc2cccc(NS(C)(=O)=O)c2)C(C)C1.
What is the InChIKey of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide?
The InChIKey is WHGIGTCYYLFLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-7-8-15(12(2)9-11)16-13-5-4-6-14(10-13)17-20(3,18)19/h4-6,10-12,15-17H,7-9H2,1-3H3.
What are the key properties of N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide?
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 64776794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).