4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid

C10H19NO4S — CID 43209512

IUPAC4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid
SMILESCC1CCCCN1S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-9-5-2-3-7-11(9)16(14,15)8-4-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHCPPPAMHVMJHOT-UHFFFAOYSA-N
MW249.33 g/mol
LogP1.06
Rot. Bonds5

About 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid

4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid (PubChem CID 43209512) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid
PubChem CID43209512
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid
SMILESCC1CCCCN1S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C10H19NO4S/c1-9-5-2-3-7-11(9)16(14,15)8-4-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHCPPPAMHVMJHOT-UHFFFAOYSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methylpiperidin-1-yl)sulfonylbutanoic 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

4-(2-methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 54876199
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonylbutanoic acid
CID 62886094
4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbutanoic acid
CID 113285289
3-[2-(hydroxymethyl)azepan-1-yl]sulfonylpropanoic acid
CID 116634341
N-[2-(2-methylpiperidin-1-yl)sulfonylethyl]benzamide
CID 18582812
5-(4-methylpiperidin-1-yl)sulfonylpentanoic acid
CID 28704901
3-(2-ethoxycarbonylpiperidin-1-yl)sulfonylpropanoic acid
CID 43648308
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)butanoic acid
CID 115559214
1-(2-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 43210809
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid (CID 43209512) is 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid is CC1CCCCN1S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid?
The InChIKey is HCPPPAMHVMJHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-9-5-2-3-7-11(9)16(14,15)8-4-6-10(12)13/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid?
4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid has a molecular weight of 249.33 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 43209512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).