4-(methylsulfanylmethyl)piperidine;hydrochloride

C7H16ClNS — CID 56773736

IUPAC4-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSCC1CCNCC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-9-6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyPQRFVIVBMRFCLO-UHFFFAOYSA-N
MW181.73 g/mol
LogP1.77
Rot. Bonds2

About 4-(methylsulfanylmethyl)piperidine;hydrochloride

4-(methylsulfanylmethyl)piperidine;hydrochloride (PubChem CID 56773736) has the molecular formula C7H16ClNS and a molecular weight of 181.73 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)piperidine;hydrochloride
PubChem CID56773736
Molecular FormulaC7H16ClNS
Molecular Weight181.73 g/mol
Exact Mass181.07
IUPAC Name4-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSCC1CCNCC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-9-6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyPQRFVIVBMRFCLO-UHFFFAOYSA-N
XLogP1.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.73
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(methylsulfanylmethyl)piperidine;hydrochloride 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-(methylsulfanylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-(methylsulfanylmethyl)piperidine;hydrochloride (CID 56773736) is 4-(methylsulfanylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(methylsulfanylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(methylsulfanylmethyl)piperidine;hydrochloride is CSCC1CCNCC1.Cl.
What is the InChIKey of 4-(methylsulfanylmethyl)piperidine;hydrochloride?
The InChIKey is PQRFVIVBMRFCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.ClH/c1-9-6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 4-(methylsulfanylmethyl)piperidine;hydrochloride?
4-(methylsulfanylmethyl)piperidine;hydrochloride has a molecular weight of 181.73 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 56773736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).