N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride

C11H19ClN2O2S — CID 119982693

IUPACN-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)Cc1ccccc1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-10(8-12)13(2)16(14,15)9-11-6-4-3-5-7-11;/h3-7,10H,8-9,12H2,1-2H3;1H
InChIKeyWSBGTIDPQMWKSY-UHFFFAOYSA-N
MW278.80 g/mol
LogP1.22
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride (PubChem CID 119982693) has the molecular formula C11H19ClN2O2S and a molecular weight of 278.80 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
PubChem CID119982693
Molecular FormulaC11H19ClN2O2S
Molecular Weight278.80 g/mol
Exact Mass278.09
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
SMILESCC(CN)N(C)S(=O)(=O)Cc1ccccc1.Cl
InChIInChI=1S/C11H18N2O2S.ClH/c1-10(8-12)13(2)16(14,15)9-11-6-4-3-5-7-11;/h3-7,10H,8-9,12H2,1-2H3;1H
InChIKeyWSBGTIDPQMWKSY-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.80
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119982474
N-(1-aminopropan-2-yl)-1-(2-fluorophenyl)-N-methylmethanesulfonamide;hydrochloride
CID 119982725
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
CID 94605874
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
N-(1-aminopropan-2-yl)-N-methyl-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120710579
N-(1-aminopropan-2-yl)-N-methyl-1-quinolin-8-ylmethanesulfonamide
CID 119982900
N-(1-aminopropan-2-yl)-2,6-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119982527
1-(3-aminophenyl)-N-(1-methoxypropan-2-yl)-N-methylmethanesulfonamide
CID 61116214
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
N-ethyl-N-fluoro-1-phenylmethanesulfonamide
CID 118574457
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylmethanesulfonamide
CID 79652332

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride (CID 119982693) is N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride is CC(CN)N(C)S(=O)(=O)Cc1ccccc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride?
The InChIKey is WSBGTIDPQMWKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S.ClH/c1-10(8-12)13(2)16(14,15)9-11-6-4-3-5-7-11;/h3-7,10H,8-9,12H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride has a molecular weight of 278.80 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119982693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).