2-methylidenepiperidine-4-thiol;hydrochloride

C6H12ClNS — CID 141013805

IUPAC2-methylidenepiperidine-4-thiol;hydrochloride
SMILESC=C1CC(S)CCN1.Cl
InChIInChI=1S/C6H11NS.ClH/c1-5-4-6(8)2-3-7-5;/h6-8H,1-4H2;1H
InChIKeyPIBNQIHMPDLPLL-UHFFFAOYSA-N
MW165.69 g/mol
LogP1.60
Rot. Bonds

About 2-methylidenepiperidine-4-thiol;hydrochloride

2-methylidenepiperidine-4-thiol;hydrochloride (PubChem CID 141013805) has the molecular formula C6H12ClNS and a molecular weight of 165.69 g/mol. Its IUPAC name is 2-methylidenepiperidine-4-thiol;hydrochloride.

Molecular Properties

Compound Name2-methylidenepiperidine-4-thiol;hydrochloride
PubChem CID141013805
Molecular FormulaC6H12ClNS
Molecular Weight165.69 g/mol
Exact Mass165.04
IUPAC Name2-methylidenepiperidine-4-thiol;hydrochloride
SMILESC=C1CC(S)CCN1.Cl
InChIInChI=1S/C6H11NS.ClH/c1-5-4-6(8)2-3-7-5;/h6-8H,1-4H2;1H
InChIKeyPIBNQIHMPDLPLL-UHFFFAOYSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.69
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Methylidenepiperidine;hydrochloride
CID 19360016
5-(Methylamino)hex-5-ene-2-thiol
CID 134365108
2-Methylidenepiperidine-4-thiol
CID 141013806
6-Methylidenepiperidine-3-thiol
CID 153975804
2-Methylidenepiperidine;dihydrochloride
CID 174913037

Frequently Asked Questions

What is the IUPAC name of 2-methylidenepiperidine-4-thiol;hydrochloride?
The IUPAC name of 2-methylidenepiperidine-4-thiol;hydrochloride (CID 141013805) is 2-methylidenepiperidine-4-thiol;hydrochloride.
What is the SMILES notation for 2-methylidenepiperidine-4-thiol;hydrochloride?
The canonical SMILES for 2-methylidenepiperidine-4-thiol;hydrochloride is C=C1CC(S)CCN1.Cl.
What is the InChIKey of 2-methylidenepiperidine-4-thiol;hydrochloride?
The InChIKey is PIBNQIHMPDLPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.ClH/c1-5-4-6(8)2-3-7-5;/h6-8H,1-4H2;1H.
What are the key properties of 2-methylidenepiperidine-4-thiol;hydrochloride?
2-methylidenepiperidine-4-thiol;hydrochloride has a molecular weight of 165.69 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepiperidine-4-thiol;hydrochloride is sourced from PubChem (CID 141013805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).