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

Name: (2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₈H₁₅NO₄S — CID 7131642

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	7131642
Molecular Formula	C₈H₁₅NO₄S
Molecular Weight	221.28 g/mol
Exact Mass	221.07
IUPAC Name	(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
SMILES	CCCS(=O)(=O)N1CCC[C@H]1C(=O)O
InChI	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
InChIKey	VBVSBNMTWKHULT-ZETCQYMHSA-N
XLogP	0.28
TPSA	74.68 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.28
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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).

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Sources

PubChem CID 7131642 — identifiers, structure, computed properties (public domain)

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