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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Related Compounds

4-methyl-3-[1-(2-phenylcyclopropyl)sulfonylpyrrolidin-3-yl]-1,2,4-triazole
CID 166316451
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 33039644
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867
5-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 61027124
N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31109375
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethylsulfonylpiperidin-4-yl)methanone
CID 120748068
1-(4,5-dimethylthiophen-2-yl)sulfonyl-N-methylpyrrolidine-3-carboxamide
CID 136548371
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 110350788
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285254
3-[1-[(1S,2R)-2-phenylcyclopropyl]sulfonylpiperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 164629643
N-methyl-1-sulfamoylpiperidine-3-carboxamide
CID 103657393

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).