4-butan-2-ylsulfonylpiperidine

C9H19NO2S — CID 90831321

IUPAC4-butan-2-ylsulfonylpiperidine
SMILESCCC(C)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H19NO2S/c1-3-8(2)13(11,12)9-4-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChIKeyFHELBLWIKOUYPX-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.95
Rot. Bonds3

About 4-butan-2-ylsulfonylpiperidine

4-butan-2-ylsulfonylpiperidine (PubChem CID 90831321) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-butan-2-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-butan-2-ylsulfonylpiperidine
PubChem CID90831321
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-butan-2-ylsulfonylpiperidine
SMILESCCC(C)S(=O)(=O)C1CCNCC1
InChIInChI=1S/C9H19NO2S/c1-3-8(2)13(11,12)9-4-6-10-7-5-9/h8-10H,3-7H2,1-2H3
InChIKeyFHELBLWIKOUYPX-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-ylsulfonylpiperidine 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 4-butan-2-ylsulfonylpiperidine?
The IUPAC name of 4-butan-2-ylsulfonylpiperidine (CID 90831321) is 4-butan-2-ylsulfonylpiperidine.
What is the SMILES notation for 4-butan-2-ylsulfonylpiperidine?
The canonical SMILES for 4-butan-2-ylsulfonylpiperidine is CCC(C)S(=O)(=O)C1CCNCC1.
What is the InChIKey of 4-butan-2-ylsulfonylpiperidine?
The InChIKey is FHELBLWIKOUYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-3-8(2)13(11,12)9-4-6-10-7-5-9/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-butan-2-ylsulfonylpiperidine?
4-butan-2-ylsulfonylpiperidine has a molecular weight of 205.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfonylpiperidine is sourced from PubChem (CID 90831321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).