N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride

C13H19ClN2O3S — CID 119617428

IUPACN-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-19(17,18)11-6-4-10(5-7-11)13(16)15-12(8-14)9-2-3-9;/h4-7,9,12H,2-3,8,14H2,1H3,(H,15,16);1H
InChIKeyOWRMUYZDJJUERN-UHFFFAOYSA-N
MW318.83 g/mol
LogP0.98
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride (PubChem CID 119617428) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
PubChem CID119617428
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C13H18N2O3S.ClH/c1-19(17,18)11-6-4-10(5-7-11)13(16)15-12(8-14)9-2-3-9;/h4-7,9,12H,2-3,8,14H2,1H3,(H,15,16);1H
InChIKeyOWRMUYZDJJUERN-UHFFFAOYSA-N
XLogP0.98
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119589468
N-(2-amino-1-cyclopropylethyl)-4-[(2,3-dimethylphenyl)sulfamoyl]benzamide;hydrochloride
CID 119615381
N-(2-amino-1-cyclopropylethyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 119617561
N-(2-amino-1-cyclopropylethyl)-4-(propylsulfonylamino)benzamide
CID 119614470
N-(2-amino-1-cyclohexylethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119591997
N-(2-amino-1-cyclopropylethyl)-4-(trifluoromethyl)benzamide
CID 65188641
N-(2-amino-1-cyclohexylethyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 119591487
1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 119616497
1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 65193383
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopropylethyl)-4-methylsulfanyl-3-nitrobenzamide;hydrochloride
CID 119616130
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride (CID 119617428) is N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride is CS(=O)(=O)c1ccc(C(=O)NC(CN)C2CC2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride?
The InChIKey is OWRMUYZDJJUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S.ClH/c1-19(17,18)11-6-4-10(5-7-11)13(16)15-12(8-14)9-2-3-9;/h4-7,9,12H,2-3,8,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride has a molecular weight of 318.83 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119617428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).