3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride

C14H21ClN2O3S — CID 119785651

IUPAC3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C(=O)c1cccc(N)c1)C1CC1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10(9-20(2,18)19)16(13-6-7-13)14(17)11-4-3-5-12(15)8-11;/h3-5,8,10,13H,6-7,9,15H2,1-2H3;1H
InChIKeyWHSPLFVSZJNYDD-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.73
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride

3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride (PubChem CID 119785651) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
PubChem CID119785651
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
SMILESCC(CS(C)(=O)=O)N(C(=O)c1cccc(N)c1)C1CC1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-10(9-20(2,18)19)16(13-6-7-13)14(17)11-4-3-5-12(15)8-11;/h3-5,8,10,13H,6-7,9,15H2,1-2H3;1H
InChIKeyWHSPLFVSZJNYDD-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 119785652
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119129619
3-amino-N-[2-[cyclopropyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119875581
N-cyclopropyl-N-[(2S,3R)-3-methylpentan-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 95159368
N-cyclopropyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 95333196
5-[cyclopropyl(1-methylsulfonylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 119185209
2-[cyclopropyl-(3-methylsulfonylbenzoyl)amino]propanoic acid
CID 119202183
N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 96539492
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-cyclopropyl-3-(methanesulfonamido)-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94822193

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride (CID 119785651) is 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride is CC(CS(C)(=O)=O)N(C(=O)c1cccc(N)c1)C1CC1.Cl.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
The InChIKey is WHSPLFVSZJNYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-10(9-20(2,18)19)16(13-6-7-13)14(17)11-4-3-5-12(15)8-11;/h3-5,8,10,13H,6-7,9,15H2,1-2H3;1H.
What are the key properties of 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride?
3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 119785651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).