(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide

C15H22N2O2S — CID 111508836

IUPAC(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC[C@H]1CO)Sc1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-12(20-14-7-3-2-4-8-14)10-16-15(19)17-9-5-6-13(17)11-18/h2-4,7-8,12-13,18H,5-6,9-11H2,1H3,(H,16,19)/t12?,13-/m0/s1
InChIKeyANWSZKUTKWTJFP-ABLWVSNPSA-N
MW294.42 g/mol
LogP2.33
Rot. Bonds5

About (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide

(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide (PubChem CID 111508836) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide
PubChem CID111508836
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC[C@H]1CO)Sc1ccccc1
InChIInChI=1S/C15H22N2O2S/c1-12(20-14-7-3-2-4-8-14)10-16-15(19)17-9-5-6-13(17)11-18/h2-4,7-8,12-13,18H,5-6,9-11H2,1H3,(H,16,19)/t12?,13-/m0/s1
InChIKeyANWSZKUTKWTJFP-ABLWVSNPSA-N
XLogP2.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)-N-(3-methyl-2-phenylbutyl)pyrrolidine-1-carboxamide
CID 111427979
2-(hydroxymethyl)-N-(2-methoxy-2-phenylethyl)pyrrolidine-1-carboxamide
CID 111427848
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
2-(hydroxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrrolidine-1-carboxamide
CID 111428047
1-(2-phenylsulfanylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122004198
N-(2,2-dimethyl-3-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428373
(2R)-2-(hydroxymethyl)-N-[(2R)-2-methyl-3-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 95967500
(2S)-2-(hydroxymethyl)-N-[(1R)-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 14641518
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
3-[(2-ethylpyrrolidine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 62878683
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-methyl-5-[(1R)-1-phenylsulfanylethyl]-1,2-oxazol-4-yl]methanone
CID 10066215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide (CID 111508836) is (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide is CC(CNC(=O)N1CCC[C@H]1CO)Sc1ccccc1.
What is the InChIKey of (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is ANWSZKUTKWTJFP-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-12(20-14-7-3-2-4-8-14)10-16-15(19)17-9-5-6-13(17)11-18/h2-4,7-8,12-13,18H,5-6,9-11H2,1H3,(H,16,19)/t12?,13-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide?
(2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-N-(2-phenylsulfanylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111508836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).