1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid

C11H19NO4S — CID 55150630

IUPAC1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H19NO4S/c13-11(14)9-6-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14)
InChIKeyRZYREFVIROGKOC-UHFFFAOYSA-N
MW261.34 g/mol
LogP1.06
Rot. Bonds3

About 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid

1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid (PubChem CID 55150630) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
PubChem CID55150630
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C11H19NO4S/c13-11(14)9-6-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14)
InChIKeyRZYREFVIROGKOC-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030464
1-[4-(trifluoromethyl)cyclohexyl]sulfonylpyrrolidine-3-carboxylic acid
CID 122068417
methyl 1-cyclopentylsulfonylpyrrolidine-3-carboxylate
CID 115602676
1-(thian-4-ylsulfonyl)piperidine-3-carboxylic acid
CID 172500690
(3S)-1-(1,1-dioxothian-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 81126357
1-[cyclohexyl(methyl)sulfamoyl]pyrrolidine-3-carboxylic acid
CID 63030973
1-(2-cyclopentylethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068407
(1-cyclohexylsulfonylpyrrolidin-3-yl)methanol
CID 62370983
1-(cyclobutylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068595
(3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylic acid
CID 28784068
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
1-(1-cyclohexylsulfonylpyrrolidin-3-yl)ethanol
CID 112627564

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid (CID 55150630) is 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is RZYREFVIROGKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c13-11(14)9-6-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid?
1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylsulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55150630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).