N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride

C15H25ClN2O2S — CID 119998536

IUPACN-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccccc1S(=O)(=O)NCC1(N)CCCCCC1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-13-8-4-5-9-14(13)20(18,19)17-12-15(16)10-6-2-3-7-11-15;/h4-5,8-9,17H,2-3,6-7,10-12,16H2,1H3;1H
InChIKeyNLCMABASCSHSSZ-UHFFFAOYSA-N
MW332.90 g/mol
LogP2.75
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride

N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119998536) has the molecular formula C15H25ClN2O2S and a molecular weight of 332.90 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119998536
Molecular FormulaC15H25ClN2O2S
Molecular Weight332.90 g/mol
Exact Mass332.13
IUPAC NameN-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride
SMILESCc1ccccc1S(=O)(=O)NCC1(N)CCCCCC1.Cl
InChIInChI=1S/C15H24N2O2S.ClH/c1-13-8-4-5-9-14(13)20(18,19)17-12-15(16)10-6-2-3-7-11-15;/h4-5,8-9,17H,2-3,6-7,10-12,16H2,1H3;1H
InChIKeyNLCMABASCSHSSZ-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
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]-2,5-dimethylbenzenesulfonamide
CID 43598135
N-[(1-aminocyclohexyl)methyl]-5-chloro-2-methylbenzenesulfonamide;hydrochloride
CID 119958709
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylbenzenesulfonamide
CID 110642394
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(1-aminocycloheptyl)methyl]-4-cyano-2-methylbenzenesulfonamide
CID 119998644
N-[(1-aminocycloheptyl)methyl]-2-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119998528
N-[(1-aminocyclohexyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 119958870
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
4-N-[(1-aminocycloheptyl)methyl]-1-N,2-dimethylbenzene-1,4-disulfonamide
CID 120875665

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride (CID 119998536) is N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride is Cc1ccccc1S(=O)(=O)NCC1(N)CCCCCC1.Cl.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is NLCMABASCSHSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S.ClH/c1-13-8-4-5-9-14(13)20(18,19)17-12-15(16)10-6-2-3-7-11-15;/h4-5,8-9,17H,2-3,6-7,10-12,16H2,1H3;1H.
What are the key properties of N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride?
N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 332.90 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119998536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).