N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride

C15H23ClN2O3S — CID 119574388

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-10-4-7-12(21(3,19)20)8-13(10)14(18)17-15(2,9-16)11-5-6-11;/h4,7-8,11H,5-6,9,16H2,1-3H3,(H,17,18);1H
InChIKeyJCEQOUXFPJMTNN-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.68
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride (PubChem CID 119574388) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
PubChem CID119574388
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)(CN)C1CC1.Cl
InChIInChI=1S/C15H22N2O3S.ClH/c1-10-4-7-12(21(3,19)20)8-13(10)14(18)17-15(2,9-16)11-5-6-11;/h4,7-8,11H,5-6,9,16H2,1-3H3,(H,17,18);1H
InChIKeyJCEQOUXFPJMTNN-UHFFFAOYSA-N
XLogP1.68
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-methyl-5-methylsulfonylbenzamide
CID 119570598
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119572841
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119573720
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119575421
N-(1-amino-2-cyclopropylpropan-2-yl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 119574490
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 119575326
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
CID 119573365

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride (CID 119574388) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride is Cc1ccc(S(C)(=O)=O)cc1C(=O)NC(C)(CN)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
The InChIKey is JCEQOUXFPJMTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S.ClH/c1-10-4-7-12(21(3,19)20)8-13(10)14(18)17-15(2,9-16)11-5-6-11;/h4,7-8,11H,5-6,9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119574388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).