3-(methylsulfanylmethyl)piperidine;hydrochloride

C7H16ClNS — CID 56773818

IUPAC3-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSCC1CCCNC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H
InChIKeyFXYRYGYEBIUCIU-UHFFFAOYSA-N
MW181.73 g/mol
LogP1.77
Rot. Bonds2

About 3-(methylsulfanylmethyl)piperidine;hydrochloride

3-(methylsulfanylmethyl)piperidine;hydrochloride (PubChem CID 56773818) has the molecular formula C7H16ClNS and a molecular weight of 181.73 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)piperidine;hydrochloride
PubChem CID56773818
Molecular FormulaC7H16ClNS
Molecular Weight181.73 g/mol
Exact Mass181.07
IUPAC Name3-(methylsulfanylmethyl)piperidine;hydrochloride
SMILESCSCC1CCCNC1.Cl
InChIInChI=1S/C7H15NS.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H
InChIKeyFXYRYGYEBIUCIU-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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)piperidine;hydrochloride?
The IUPAC name of 3-(methylsulfanylmethyl)piperidine;hydrochloride (CID 56773818) is 3-(methylsulfanylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(methylsulfanylmethyl)piperidine;hydrochloride?
The canonical SMILES for 3-(methylsulfanylmethyl)piperidine;hydrochloride is CSCC1CCCNC1.Cl.
What is the InChIKey of 3-(methylsulfanylmethyl)piperidine;hydrochloride?
The InChIKey is FXYRYGYEBIUCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.ClH/c1-9-6-7-3-2-4-8-5-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 3-(methylsulfanylmethyl)piperidine;hydrochloride?
3-(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 3-(methylsulfanylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 56773818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).