1-propylsulfonylpiperidine-4-carboxylic acid

C9H17NO4S — CID 4047204

IUPAC1-propylsulfonylpiperidine-4-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO4S/c1-2-7-15(13,14)10-5-3-8(4-6-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeySFCXVIKUVPMULD-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.52
Rot. Bonds4

About 1-propylsulfonylpiperidine-4-carboxylic acid

1-propylsulfonylpiperidine-4-carboxylic acid (PubChem CID 4047204) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-propylsulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-propylsulfonylpiperidine-4-carboxylic acid
PubChem CID4047204
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name1-propylsulfonylpiperidine-4-carboxylic acid
SMILESCCCS(=O)(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C9H17NO4S/c1-2-7-15(13,14)10-5-3-8(4-6-10)9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeySFCXVIKUVPMULD-UHFFFAOYSA-N
XLogP0.52
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propylsulfonylpiperidine-4-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

Related Compounds

1-(Ethanesulfonyl)piperidine-4-carboxylic acid
CID 4962812
1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
Methyl 1-(methylsulfonyl)-4-piperidinecarboxylate
CID 2763709
1-(Cyclopropylsulfonyl)piperidine-4-carboxylic acid
CID 25000516
1-(Butane-1-sulfonyl)piperidine-4-carboxylic acid
CID 16228565
1-(Dimethylsulfamoyl)piperidine-4-carboxylic acid
CID 21076144
Methyl 1-(2-sulfamoylethyl)piperidine-4-carboxylate
CID 56828082
1-(2-Sulfamoylethyl)piperidine-4-carboxylic acid hydrochloride
CID 75422240
1-[(3,5-Dimethylcyclohexyl)sulfonyl]piperidine-4-carboxylic acid
CID 3411977
1-[Bis(2-methylpropyl)sulfamoyl]piperidine-4-carboxylic acid
CID 5079844
2,2-Dimethylpropyl 1-ethylsulfonylpiperidine-4-carboxylate
CID 72023293
1-(1,1,2,2,3,3-Hexafluoropropylsulfonyl)piperidine-4-carboxylic acid
CID 58527731

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-propylsulfonylpiperidine-4-carboxylic acid (CID 4047204) is 1-propylsulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-propylsulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-propylsulfonylpiperidine-4-carboxylic acid is CCCS(=O)(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-propylsulfonylpiperidine-4-carboxylic acid?
The InChIKey is SFCXVIKUVPMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-7-15(13,14)10-5-3-8(4-6-10)9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-propylsulfonylpiperidine-4-carboxylic acid?
1-propylsulfonylpiperidine-4-carboxylic acid has a molecular weight of 235.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 4047204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).