3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine

C12H21N3S — CID 62402890

IUPAC3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine
SMILESCc1cc(SCCC2CCCNC2)n(C)n1
InChIInChI=1S/C12H21N3S/c1-10-8-12(15(2)14-10)16-7-5-11-4-3-6-13-9-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyOYCQTDKJQLXPIM-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.21
Rot. Bonds4

About 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine

3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine (PubChem CID 62402890) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine
PubChem CID62402890
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine
SMILESCc1cc(SCCC2CCCNC2)n(C)n1
InChIInChI=1S/C12H21N3S/c1-10-8-12(15(2)14-10)16-7-5-11-4-3-6-13-9-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyOYCQTDKJQLXPIM-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]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 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine?
The IUPAC name of 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine (CID 62402890) is 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine.
What is the SMILES notation for 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine?
The canonical SMILES for 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine is Cc1cc(SCCC2CCCNC2)n(C)n1.
What is the InChIKey of 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine?
The InChIKey is OYCQTDKJQLXPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-8-12(15(2)14-10)16-7-5-11-4-3-6-13-9-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine?
3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine has a molecular weight of 239.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]piperidine is sourced from PubChem (CID 62402890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).