1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid

C10H17NO4S — CID 105360669

IUPAC1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C10H17NO4S/c12-10(13)9-6-3-7-11(9)16(14,15)8-4-1-2-5-8/h8-9H,1-7H2,(H,12,13)
InChIKeyZOVBFGVGHIDARR-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.81
Rot. Bonds3

About 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid

1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 105360669) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID105360669
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)C1CCCC1
InChIInChI=1S/C10H17NO4S/c12-10(13)9-6-3-7-11(9)16(14,15)8-4-1-2-5-8/h8-9H,1-7H2,(H,12,13)
InChIKeyZOVBFGVGHIDARR-UHFFFAOYSA-N
XLogP0.81
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
CID 61137595
(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
CID 130608836
(2S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 66263114
[(2S)-1-cyclopentylsulfonylpyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 110305825
(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 28606646
(2S)-1-(trifluoromethylsulfonyl)piperidine-2-carboxylic acid
CID 66262970
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699
1-cyclopropylsulfonylpyrrolidine-2-carbothioamide
CID 64554517
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid (CID 105360669) is 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is ZOVBFGVGHIDARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)9-6-3-7-11(9)16(14,15)8-4-1-2-5-8/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid?
1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105360669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).