1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid

C10H19NO4S — CID 63191349

IUPAC1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid
SMILESCS(=O)(=O)CCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-16(14,15)7-3-6-11-5-2-4-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyXBZODRZUPXBVEQ-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.22
Rot. Bonds5

About 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid

1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid (PubChem CID 63191349) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid
PubChem CID63191349
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid
SMILESCS(=O)(=O)CCCN1CCCC(C(=O)O)C1
InChIInChI=1S/C10H19NO4S/c1-16(14,15)7-3-6-11-5-2-4-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyXBZODRZUPXBVEQ-UHFFFAOYSA-N
XLogP0.22
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylsulfonylpropyl)piperidine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid (CID 63191349) is 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid is CS(=O)(=O)CCCN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid?
The InChIKey is XBZODRZUPXBVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-16(14,15)7-3-6-11-5-2-4-9(8-11)10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid?
1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid has a molecular weight of 249.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63191349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).