N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide

C15H24N2O2S — CID 43598135

IUPACN-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-12-6-7-13(2)14(10-12)20(18,19)17-11-15(16)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyIYAASAOBXKKXDH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.24
Rot. Bonds4

About N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide

N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 43598135) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID43598135
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2(N)CCCCC2)c1
InChIInChI=1S/C15H24N2O2S/c1-12-6-7-13(2)14(10-12)20(18,19)17-11-15(16)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3
InChIKeyIYAASAOBXKKXDH-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 119958873
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
N-[(1-aminocyclohexyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 119958870
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119998536
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocyclohexyl)methyl]-2-methoxy-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 120998687
N-[(1-aminocyclohexyl)methyl]-6-methyl-1,3-benzodioxole-5-sulfonamide
CID 120874313
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylbenzenesulfonamide
CID 60776396
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide (CID 43598135) is N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2(N)CCCCC2)c1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is IYAASAOBXKKXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12-6-7-13(2)14(10-12)20(18,19)17-11-15(16)8-4-3-5-9-15/h6-7,10,17H,3-5,8-9,11,16H2,1-2H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide?
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43598135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).