N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide

C13H18N2O3S — CID 55243718

IUPACN-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC(N)C2CC2)c1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)11-4-2-3-10(7-11)13(16)15-8-12(14)9-5-6-9/h2-4,7,9,12H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyFYJIZASOHIAPBC-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.56
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide

N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide (PubChem CID 55243718) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
PubChem CID55243718
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)NCC(N)C2CC2)c1
InChIInChI=1S/C13H18N2O3S/c1-19(17,18)11-4-2-3-10(7-11)13(16)15-8-12(14)9-5-6-9/h2-4,7,9,12H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyFYJIZASOHIAPBC-UHFFFAOYSA-N
XLogP0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(2-bromopropyl)-3-methylsulfonylbenzamide
CID 114308747
methyl 2-iodo-3-[(3-methylsulfonylbenzoyl)amino]propanoate
CID 103493340
3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 120582622
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
CID 119526864
N-[2-(methylamino)propyl]-3-methylsulfonylbenzamide;hydrochloride
CID 120832243
N-[(3-aminocyclobutyl)methyl]-3-methylsulfonylbenzamide
CID 66006871
3-methyl-4-[(3-methylsulfonylbenzoyl)amino]butanoic acid
CID 81063437
3-methylsulfonyl-N-(2-phenylpropyl)benzamide
CID 42894359
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
N-[cyano(cyclopropyl)methyl]-3-methylsulfonylbenzamide
CID 63822853
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide (CID 55243718) is N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)NCC(N)C2CC2)c1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide?
The InChIKey is FYJIZASOHIAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-19(17,18)11-4-2-3-10(7-11)13(16)15-8-12(14)9-5-6-9/h2-4,7,9,12H,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide?
N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 55243718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).