N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide

C15H20N2O3S — CID 128851616

IUPACN-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C15H20N2O3S/c1-16-15(18)12-7-8-17(10-12)21(19,20)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12?,13-,14+/m0/s1
InChIKeyFDPLWHDSBZZNBO-KFTPUPIBSA-N
MW308.40 g/mol
LogP0.94
Rot. Bonds4

About N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide

N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide (PubChem CID 128851616) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide
PubChem CID128851616
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1
InChIInChI=1S/C15H20N2O3S/c1-16-15(18)12-7-8-17(10-12)21(19,20)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12?,13-,14+/m0/s1
InChIKeyFDPLWHDSBZZNBO-KFTPUPIBSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide (CID 128851616) is N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide is CNC(=O)C1CCN(S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)C1.
What is the InChIKey of N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide?
The InChIKey is FDPLWHDSBZZNBO-KFTPUPIBSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-16-15(18)12-7-8-17(10-12)21(19,20)14-9-13(14)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3,(H,16,18)/t12?,13-,14+/m0/s1.
What are the key properties of N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide?
N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1R,2S)-2-phenylcyclopropyl]sulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 128851616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).