(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid

C8H15NO4S — CID 7131642

IUPAC(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-6-14(12,13)9-5-3-4-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyVBVSBNMTWKHULT-ZETCQYMHSA-N
MW221.28 g/mol
LogP0.28
Rot. Bonds4

About (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid

(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 7131642) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID7131642
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C8H15NO4S/c1-2-6-14(12,13)9-5-3-4-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyVBVSBNMTWKHULT-ZETCQYMHSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145275
4-methyl-1-propylsulfonylpiperidine-2-carboxylic acid
CID 114422080
(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122069658
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
(2S)-1-(3-cyano-3-methylbutyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069762
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 79673182

Frequently Asked Questions

What is the IUPAC name of (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid (CID 7131642) is (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid is CCCS(=O)(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is VBVSBNMTWKHULT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-6-14(12,13)9-5-3-4-7(9)8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 221.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 7131642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).