N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide

C14H22N2O2S — CID 102639357

IUPACN-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCCCC2N)c1
InChIInChI=1S/C14H22N2O2S/c1-11-6-5-7-12(10-11)19(17,18)16(2)14-9-4-3-8-13(14)15/h5-7,10,13-14H,3-4,8-9,15H2,1-2H3
InChIKeyHADACIMOGCCTBI-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.89
Rot. Bonds3

About N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide

N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 102639357) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
PubChem CID102639357
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)C2CCCCC2N)c1
InChIInChI=1S/C14H22N2O2S/c1-11-6-5-7-12(10-11)19(17,18)16(2)14-9-4-3-8-13(14)15/h5-7,10,13-14H,3-4,8-9,15H2,1-2H3
InChIKeyHADACIMOGCCTBI-UHFFFAOYSA-N
XLogP1.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
CID 102639359
N-(2-aminocyclohexyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 102639278
3-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 81258647
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
N-(2-aminoethyl)-N-cyclohexyl-3-methylbenzenesulfonamide
CID 28708333
N-[(1S,3R)-3-[benzyl(methyl)amino]cyclopentyl]-N,3-dimethylbenzenesulfonamide;hydrochloride
CID 69421630
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-N,4-dimethylbenzenesulfonamide
CID 110125865
N-(2-hydroxycyclohexyl)-3-(1-hydroxyethyl)-N-methylbenzenesulfonamide
CID 102635778
N-(2-aminoethyl)-N,3-dimethylbenzenesulfonamide
CID 28707580
[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
CID 64698481
N-(1-cyanocyclopentyl)-N,3-dimethylbenzenesulfonamide
CID 94700792
N,3,4-trimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 47165021

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide (CID 102639357) is N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)C2CCCCC2N)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is HADACIMOGCCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11-6-5-7-12(10-11)19(17,18)16(2)14-9-4-3-8-13(14)15/h5-7,10,13-14H,3-4,8-9,15H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide?
N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 102639357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).