4-methylsulfanylpiperidine;hydrochloride

C6H14ClNS — CID 50998950

IUPAC4-methylsulfanylpiperidine;hydrochloride
SMILESCSC1CCNCC1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyVXAYZGLCMOYQFU-UHFFFAOYSA-N
MW167.70 g/mol
LogP1.52
Rot. Bonds1

About 4-methylsulfanylpiperidine;hydrochloride

4-methylsulfanylpiperidine;hydrochloride (PubChem CID 50998950) has the molecular formula C6H14ClNS and a molecular weight of 167.70 g/mol. Its IUPAC name is 4-methylsulfanylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-methylsulfanylpiperidine;hydrochloride
PubChem CID50998950
Molecular FormulaC6H14ClNS
Molecular Weight167.70 g/mol
Exact Mass167.05
IUPAC Name4-methylsulfanylpiperidine;hydrochloride
SMILESCSC1CCNCC1.Cl
InChIInChI=1S/C6H13NS.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H
InChIKeyVXAYZGLCMOYQFU-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.70
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanylpiperidine;hydrochloride?
The IUPAC name of 4-methylsulfanylpiperidine;hydrochloride (CID 50998950) is 4-methylsulfanylpiperidine;hydrochloride.
What is the SMILES notation for 4-methylsulfanylpiperidine;hydrochloride?
The canonical SMILES for 4-methylsulfanylpiperidine;hydrochloride is CSC1CCNCC1.Cl.
What is the InChIKey of 4-methylsulfanylpiperidine;hydrochloride?
The InChIKey is VXAYZGLCMOYQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.ClH/c1-8-6-2-4-7-5-3-6;/h6-7H,2-5H2,1H3;1H.
What are the key properties of 4-methylsulfanylpiperidine;hydrochloride?
4-methylsulfanylpiperidine;hydrochloride has a molecular weight of 167.70 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpiperidine;hydrochloride is sourced from PubChem (CID 50998950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).