N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride

C12H19ClN2O3S — CID 120832243

IUPACN-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9(13-2)8-14-12(15)10-5-4-6-11(7-10)18(3,16)17;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyCURWKOGTJUWLQD-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.85
Rot. Bonds5

About N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride

N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride (PubChem CID 120832243) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
PubChem CID120832243
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.82 g/mol
Exact Mass306.08
IUPAC NameN-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc(S(C)(=O)=O)c1.Cl
InChIInChI=1S/C12H18N2O3S.ClH/c1-9(13-2)8-14-12(15)10-5-4-6-11(7-10)18(3,16)17;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H
InChIKeyCURWKOGTJUWLQD-UHFFFAOYSA-N
XLogP0.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
3-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 81063437
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-[2-(methylamino)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 120831499
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
CID 119526864
N-[2-(methylamino)propyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 120829635
3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120827304
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-methylsulfonylbenzamide
CID 96530833
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-(methylamino)propyl]benzamide
CID 120829858
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
CID 55243718
2-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 80537996

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride (CID 120832243) is N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride is CNC(C)CNC(=O)c1cccc(S(C)(=O)=O)c1.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride?
The InChIKey is CURWKOGTJUWLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S.ClH/c1-9(13-2)8-14-12(15)10-5-4-6-11(7-10)18(3,16)17;/h4-7,9,13H,8H2,1-3H3,(H,14,15);1H.
What are the key properties of N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride?
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride has a molecular weight of 306.82 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120832243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).