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

C11H19NO4S — CID 61137595

IUPAC(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H19NO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,13,14)/t10-/m0/s1
InChIKeyUAZYYSOOCUWPHY-JTQLQIEISA-N
MW261.34 g/mol
LogP1.20
Rot. Bonds3

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

(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid (PubChem CID 61137595) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
PubChem CID61137595
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H19NO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,13,14)/t10-/m0/s1
InChIKeyUAZYYSOOCUWPHY-JTQLQIEISA-N
XLogP1.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfonylpyrrolidine-2-carboxylic acid
CID 105360669
(2S)-1-cyclopropylsulfonylazetidine-2-carboxylic acid
CID 130608836
(2S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 66263114
(4R)-3-cyclohexylsulfonyl-1,3-thiazolidine-4-carboxylic acid
CID 61142378
1-(dimethylsulfamoyl)azepane-2-carboxylic acid
CID 64561301
[(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-(cyclopropylsulfamoyl)azepane-2-carboxylic acid
CID 114533609
1-(2-methylpiperidin-1-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 43210782
1-cyclopentylsulfonyl-4-methoxypyrrolidine-2-carboxylic acid
CID 105360699
1-cyclopropylsulfonylpyrrolidine-2-carbothioamide
CID 64554517

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid (CID 61137595) is (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)C1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is UAZYYSOOCUWPHY-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexylsulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61137595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).