4-[3-(2-methylpropylsulfonyl)propyl]piperidine

C12H25NO2S — CID 56997394

IUPAC4-[3-(2-methylpropylsulfonyl)propyl]piperidine
SMILESCC(C)CS(=O)(=O)CCCC1CCNCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)10-16(14,15)9-3-4-12-5-7-13-8-6-12/h11-13H,3-10H2,1-2H3
InChIKeyZRQIEUVTAGQTTP-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.84
Rot. Bonds6

About 4-[3-(2-methylpropylsulfonyl)propyl]piperidine

4-[3-(2-methylpropylsulfonyl)propyl]piperidine (PubChem CID 56997394) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 4-[3-(2-methylpropylsulfonyl)propyl]piperidine.

Molecular Properties

Compound Name4-[3-(2-methylpropylsulfonyl)propyl]piperidine
PubChem CID56997394
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name4-[3-(2-methylpropylsulfonyl)propyl]piperidine
SMILESCC(C)CS(=O)(=O)CCCC1CCNCC1
InChIInChI=1S/C12H25NO2S/c1-11(2)10-16(14,15)9-3-4-12-5-7-13-8-6-12/h11-13H,3-10H2,1-2H3
InChIKeyZRQIEUVTAGQTTP-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2-methylpropylsulfonyl)propyl]piperidine 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-[3-(2-methylpropylsulfonyl)propyl]piperidine?
The IUPAC name of 4-[3-(2-methylpropylsulfonyl)propyl]piperidine (CID 56997394) is 4-[3-(2-methylpropylsulfonyl)propyl]piperidine.
What is the SMILES notation for 4-[3-(2-methylpropylsulfonyl)propyl]piperidine?
The canonical SMILES for 4-[3-(2-methylpropylsulfonyl)propyl]piperidine is CC(C)CS(=O)(=O)CCCC1CCNCC1.
What is the InChIKey of 4-[3-(2-methylpropylsulfonyl)propyl]piperidine?
The InChIKey is ZRQIEUVTAGQTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(2)10-16(14,15)9-3-4-12-5-7-13-8-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 4-[3-(2-methylpropylsulfonyl)propyl]piperidine?
4-[3-(2-methylpropylsulfonyl)propyl]piperidine has a molecular weight of 247.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropylsulfonyl)propyl]piperidine is sourced from PubChem (CID 56997394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).