(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

C14H20N2O3S — CID 39855260

IUPAC(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)16-11-5-8-13(16)14(17)15-10-9-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyWZNQQTMPNNAXJT-CYBMUJFWSA-N
MW296.39 g/mol
LogP0.77
Rot. Bonds5

About (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide

(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 39855260) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID39855260
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H20N2O3S/c1-20(18,19)16-11-5-8-13(16)14(17)15-10-9-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyWZNQQTMPNNAXJT-CYBMUJFWSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255649
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51241320
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 51240572
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
(2R)-1-naphthalen-2-ylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 8779427
(2S)-1-methylsulfonyl-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 33249875
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152
(2S)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 91771287
N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 63311449
N-[2-(cyclohexen-1-yl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110753679
(2S)-1-benzylsulfonyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 101173677

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 39855260) is (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCC[C@@H]1C(=O)NCCc1ccccc1.
What is the InChIKey of (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is WZNQQTMPNNAXJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-20(18,19)16-11-5-8-13(16)14(17)15-10-9-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide?
(2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 39855260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).