N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide

C14H17NO3S — CID 110478207

IUPACN-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccccc1C1(NC(=O)C2CC2)CC1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)12-5-3-2-4-11(12)14(8-9-14)15-13(16)10-6-7-10/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyKIWUXDIPKKTVGQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.61
Rot. Bonds4

About N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide

N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide (PubChem CID 110478207) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide
PubChem CID110478207
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccccc1C1(NC(=O)C2CC2)CC1
InChIInChI=1S/C14H17NO3S/c1-19(17,18)12-5-3-2-4-11(12)14(8-9-14)15-13(16)10-6-7-10/h2-5,10H,6-9H2,1H3,(H,15,16)
InChIKeyKIWUXDIPKKTVGQ-UHFFFAOYSA-N
XLogP1.61
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-methoxyphenyl)cyclopropyl]cyclopropanecarboxamide
CID 110445612
N-[1-(2-methoxyphenyl)cyclopropyl]cyclopentanecarboxamide
CID 110466283
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
N-(6-methyl-2-pyridinyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935097
N-(2-methylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935080
(1R,3R,4S)-4-hydroxy-3-methoxy-N-(1-phenylcyclopropyl)cyclohexane-1-carboxamide
CID 135088329
4-[(2-methylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229153
N-[(3S)-3-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-hydroxycyclohexane-1-carboxamide
CID 68872035
1-(2-chloro-6-methylsulfonylphenyl)cyclopentane-1-carboxylic acid
CID 117487595
N-(2,3-dimethylphenyl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16935092
N-(1-phenylcyclobutyl)piperidine-4-carboxamide
CID 110482320

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide (CID 110478207) is N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide is CS(=O)(=O)c1ccccc1C1(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide?
The InChIKey is KIWUXDIPKKTVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-19(17,18)12-5-3-2-4-11(12)14(8-9-14)15-13(16)10-6-7-10/h2-5,10H,6-9H2,1H3,(H,15,16).
What are the key properties of N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide?
N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylphenyl)cyclopropyl]cyclopropanecarboxamide is sourced from PubChem (CID 110478207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).