4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine

C15H25N3S — CID 114722157

IUPAC4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine
SMILESCC1(c2cncn2CC2CCSCC2)CCNCC1
InChIInChI=1S/C15H25N3S/c1-15(4-6-16-7-5-15)14-10-17-12-18(14)11-13-2-8-19-9-3-13/h10,12-13,16H,2-9,11H2,1H3
InChIKeySDRAJFASZGBAPM-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.67
Rot. Bonds3

About 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine

4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine (PubChem CID 114722157) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine
PubChem CID114722157
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine
SMILESCC1(c2cncn2CC2CCSCC2)CCNCC1
InChIInChI=1S/C15H25N3S/c1-15(4-6-16-7-5-15)14-10-17-12-18(14)11-13-2-8-19-9-3-13/h10,12-13,16H,2-9,11H2,1H3
InChIKeySDRAJFASZGBAPM-UHFFFAOYSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]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-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine?
The IUPAC name of 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine (CID 114722157) is 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine.
What is the SMILES notation for 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine?
The canonical SMILES for 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine is CC1(c2cncn2CC2CCSCC2)CCNCC1.
What is the InChIKey of 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine?
The InChIKey is SDRAJFASZGBAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-15(4-6-16-7-5-15)14-10-17-12-18(14)11-13-2-8-19-9-3-13/h10,12-13,16H,2-9,11H2,1H3.
What are the key properties of 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine?
4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine has a molecular weight of 279.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-(thian-4-ylmethyl)imidazol-4-yl]piperidine is sourced from PubChem (CID 114722157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).