cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide

C13H17NO3S — CID 95329971

IUPACcis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3S/c1-10-9-12(10)13(15)14-18(16,17)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyDBQDCRFTKPDXST-CMPLNLGQSA-N
MW267.35 g/mol
LogP1.33
Rot. Bonds5

About cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide (PubChem CID 95329971) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide
PubChem CID95329971
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Namecis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)NS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C13H17NO3S/c1-10-9-12(10)13(15)14-18(16,17)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyDBQDCRFTKPDXST-CMPLNLGQSA-N
XLogP1.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide 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

cis-(1S,2R)-2-methyl-N-(2-thiophen-2-ylethylsulfonyl)cyclopropane-1-carboxamide
CID 99859027
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
cis-(1S,2R)-2-methyl-N-(2-methylpropylsulfonyl)cyclopropane-1-carboxamide
CID 97022980
trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850
N-[(2-methylpropan-2-yl)oxy]-2-phenylethanesulfonamide
CID 82723208
(2R)-2-benzyl-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]propanoic acid
CID 124692134
2-methyl-3-(2-phenylethylsulfonylamino)butanoic acid
CID 113415931
(1S,6S)-3,4-dimethyl-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 841445
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide (CID 95329971) is cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)NS(=O)(=O)CCc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide?
The InChIKey is DBQDCRFTKPDXST-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-10-9-12(10)13(15)14-18(16,17)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)/t10-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-(2-phenylethylsulfonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95329971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).