N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide

C20H28N2O3S — CID 176848875

IUPACN-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C2CCCC2)C1
InChIInChI=1S/C20H28N2O3S/c1-26(24,25)21-15-10-11-22(13-15)20(23)19-12-18(19)17-9-5-4-8-16(17)14-6-2-3-7-14/h4-5,8-9,14-15,18-19,21H,2-3,6-7,10-13H2,1H3/t15-,18+,19-/m1/s1
InChIKeyCSXHQMJLFJVMHK-AYOQOUSVSA-N
MW376.52 g/mol
LogP2.60
Rot. Bonds5

About N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide

N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 176848875) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID176848875
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C2CCCC2)C1
InChIInChI=1S/C20H28N2O3S/c1-26(24,25)21-15-10-11-22(13-15)20(23)19-12-18(19)17-9-5-4-8-16(17)14-6-2-3-7-14/h4-5,8-9,14-15,18-19,21H,2-3,6-7,10-13H2,1H3/t15-,18+,19-/m1/s1
InChIKeyCSXHQMJLFJVMHK-AYOQOUSVSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(1S,2S)-2-(2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849179
N-[1-[2-[2-(4-methylphenyl)phenyl]cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848633
N-[(3S)-1-[(1R,2R)-2-(5-fluoro-2-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848764
N-[(3R)-1-[(1S,2R)-2-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 129425838
N-[1-[2-[2-(2,6-difluorophenyl)-4-methylphenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848225
N-[1-[2-(2-methyl-6-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848561
N-[(4S)-1-[(1R,2R)-2-[2-(2,6-difluorophenyl)-3-fluorophenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848956
N-[(3S)-1-[(1R,2R)-2-(4-fluoro-3-methyl-2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848935
N-[(3R)-1-[(1R,2R)-2-[2-(2-chlorophenyl)-6-fluorophenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848939
N-[(4R)-1-[(1R,2R)-2-[2-(2,4-difluorophenyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848445
N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848672
N-[(4S)-1-[(1R,2R)-2-(2-phenylthiophen-3-yl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848284

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide (CID 176848875) is N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C2CCCC2)C1.
What is the InChIKey of N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is CSXHQMJLFJVMHK-AYOQOUSVSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-26(24,25)21-15-10-11-22(13-15)20(23)19-12-18(19)17-9-5-4-8-16(17)14-6-2-3-7-14/h4-5,8-9,14-15,18-19,21H,2-3,6-7,10-13H2,1H3/t15-,18+,19-/m1/s1.
What are the key properties of N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide?
N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(1R,2R)-2-(2-cyclopentylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 176848875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).