N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride

C10H17ClN2O2S — CID 142689646

IUPACN-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride
SMILESCc1c(NS(C)(=O)=O)cccc1[C@@H](C)N.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-7-9(8(2)11)5-4-6-10(7)12-15(3,13)14;/h4-6,8,12H,11H2,1-3H3;1H/t8-;/m1./s1
InChIKeyLJOBYPCAQIEQBH-DDWIOCJRSA-N
MW264.78 g/mol
LogP1.81
Rot. Bonds3

About N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride

N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride (PubChem CID 142689646) has the molecular formula C10H17ClN2O2S and a molecular weight of 264.78 g/mol. Its IUPAC name is N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride
PubChem CID142689646
Molecular FormulaC10H17ClN2O2S
Molecular Weight264.78 g/mol
Exact Mass264.07
IUPAC NameN-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride
SMILESCc1c(NS(C)(=O)=O)cccc1[C@@H](C)N.Cl
InChIInChI=1S/C10H16N2O2S.ClH/c1-7-9(8(2)11)5-4-6-10(7)12-15(3,13)14;/h4-6,8,12H,11H2,1-3H3;1H/t8-;/m1./s1
InChIKeyLJOBYPCAQIEQBH-DDWIOCJRSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)methanesulfonamide
CID 669020
3-(methanesulfonamido)-2-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 41448887
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride
CID 66718598
3-(methanesulfonamido)-2-methyl-N-propan-2-ylbenzamide
CID 41454413
N-[4-[(1R)-1-aminoethyl]-2,5-difluorophenyl]methanesulfonamide;hydrochloride
CID 67047461
(2R)-2-[2-(methanesulfonamido)phenyl]propanamide
CID 66860798
N-[2-[amino(cyano)methyl]phenyl]methanesulfonamide
CID 23126828
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
(2R)-2-amino-N-[2-(methanesulfonamido)phenyl]propanamide;hydrochloride
CID 119278967
1-(3-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 154878722
N-[2-(1-aminoethyl)phenyl]-1,1-difluoromethanesulfonamide
CID 43200301
N-[3-(cyanomethyl)-2-methylphenyl]methanesulfonamide
CID 18789726

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride (CID 142689646) is N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride is Cc1c(NS(C)(=O)=O)cccc1[C@@H](C)N.Cl.
What is the InChIKey of N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride?
The InChIKey is LJOBYPCAQIEQBH-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H16N2O2S.ClH/c1-7-9(8(2)11)5-4-6-10(7)12-15(3,13)14;/h4-6,8,12H,11H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride?
N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride has a molecular weight of 264.78 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 142689646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).