N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride

C15H25ClN2O2S — CID 119986461

IUPACN-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-11-7-8-12(2)15(9-11)20(18,19)17-14-6-4-3-5-13(14)10-16;/h7-9,13-14,17H,3-6,10,16H2,1-2H3;1H
InChIKeyMPGCCRKVNGXJSS-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride (PubChem CID 119986461) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
PubChem CID119986461
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
SMILESCc1ccc(C)c(S(=O)(=O)NC2CCCCC2CN)c1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-11-7-8-12(2)15(9-11)20(18,19)17-14-6-4-3-5-13(14)10-16;/h7-9,13-14,17H,3-6,10,16H2,1-2H3;1H
InChIKeyMPGCCRKVNGXJSS-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.90
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 124694470
N-(2-bromocyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 114297356
N-(2-hydroxycyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 55064031
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4-methylbenzenesulfonamide
CID 99850252
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[(1R,2S)-2-(aminomethyl)cyclohexyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698245
N-[2-(bromomethyl)cyclohexyl]-2,4-dimethylbenzenesulfonamide
CID 106367713
N-[2-(aminomethyl)cyclopentyl]-2,4,6-trimethylbenzenesulfonamide;hydrochloride
CID 119985791
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120711144
N-[(1R,2S)-2-(aminomethyl)cyclopentyl]-2,5-dimethyl-3-methylsulfonylbenzenesulfonamide
CID 124698250
N-[2-(aminomethyl)cyclohexyl]-4-methyl-3-nitrobenzenesulfonamide;hydrochloride
CID 119986348

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride (CID 119986461) is N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride is Cc1ccc(C)c(S(=O)(=O)NC2CCCCC2CN)c1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
The InChIKey is MPGCCRKVNGXJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-11-7-8-12(2)15(9-11)20(18,19)17-14-6-4-3-5-13(14)10-16;/h7-9,13-14,17H,3-6,10,16H2,1-2H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2,5-dimethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119986461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).