N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride

C12H21ClN2O2S — CID 119972396

IUPACN-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10-4-3-5-12(8-10)9-17(15,16)14-7-6-11(2)13;/h3-5,8,11,14H,6-7,9,13H2,1-2H3;1H
InChIKeyUIKNOFWXUAGKHM-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.57
Rot. Bonds6

About N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride

N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride (PubChem CID 119972396) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
PubChem CID119972396
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC NameN-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
SMILESCc1cccc(CS(=O)(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-10-4-3-5-12(8-10)9-17(15,16)14-7-6-11(2)13;/h3-5,8,11,14H,6-7,9,13H2,1-2H3;1H
InChIKeyUIKNOFWXUAGKHM-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
N-(2,4-dimethylpentan-3-yl)-1-(3-methylphenyl)methanesulfonamide
CID 27210808
1-(3-methylphenyl)-N-[(1S)-1-phenylethyl]methanesulfonamide
CID 27210154
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119985053
1-(3-aminophenyl)-N-(7-methyloctyl)methanesulfonamide
CID 107814647
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
N-(2-hydroxy-2-naphthalen-1-ylethyl)-1-(3-methylphenyl)methanesulfonamide
CID 90497359

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride (CID 119972396) is N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride is Cc1cccc(CS(=O)(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
The InChIKey is UIKNOFWXUAGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-10-4-3-5-12(8-10)9-17(15,16)14-7-6-11(2)13;/h3-5,8,11,14H,6-7,9,13H2,1-2H3;1H.
What are the key properties of N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride?
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 119972396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).