N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride

C9H15ClN2O2S — CID 42941938

IUPACN-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCC(N)c1cccc(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-7(10)8-4-3-5-9(6-8)11-14(2,12)13;/h3-7,11H,10H2,1-2H3;1H
InChIKeyYSCSEVRAYYFTRW-UHFFFAOYSA-N
MW250.75 g/mol
LogP1.50
Rot. Bonds3

About N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride

N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 42941938) has the molecular formula C9H15ClN2O2S and a molecular weight of 250.75 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
PubChem CID42941938
Molecular FormulaC9H15ClN2O2S
Molecular Weight250.75 g/mol
Exact Mass250.05
IUPAC NameN-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCC(N)c1cccc(NS(C)(=O)=O)c1.Cl
InChIInChI=1S/C9H14N2O2S.ClH/c1-7(10)8-4-3-5-9(6-8)11-14(2,12)13;/h3-7,11H,10H2,1-2H3;1H
InChIKeyYSCSEVRAYYFTRW-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1-aminoethyl)-3-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
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molecular hydrogen;N-(3-propan-2-ylphenyl)methanesulfonamide
CID 171098076
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
CID 54011314
2-amino-2-[3-(methanesulfonamido)phenyl]acetamide
CID 13127822
N-[3-(1-aminoethyl)phenyl]-1-phenylmethanesulfonamide
CID 16794346
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
N-[3-(4-oxobutan-2-yl)phenyl]methanesulfonamide
CID 117355560
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
N-[4-[(1S)-1-aminoethyl]-2,6-difluorophenyl]methanesulfonamide;hydrochloride
CID 131637134
2-hydroxy-2-[3-(methanesulfonamido)phenyl]ethanimidamide;hydrochloride
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N-[3-(1-aminoethyl)phenyl]-5-ethylthiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride (CID 42941938) is N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride is CC(N)c1cccc(NS(C)(=O)=O)c1.Cl.
What is the InChIKey of N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is YSCSEVRAYYFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S.ClH/c1-7(10)8-4-3-5-9(6-8)11-14(2,12)13;/h3-7,11H,10H2,1-2H3;1H.
What are the key properties of N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride?
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 250.75 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 42941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).