2-methylidenepiperidine-4-thiol

C6H11NS — CID 141013806

IUPAC2-methylidenepiperidine-4-thiol
SMILESC=C1CC(S)CCN1
InChIInChI=1S/C6H11NS/c1-5-4-6(8)2-3-7-5/h6-8H,1-4H2
InChIKeyVRHGWBYLZOJCMW-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.18
Rot. Bonds

About 2-methylidenepiperidine-4-thiol

2-methylidenepiperidine-4-thiol (PubChem CID 141013806) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 2-methylidenepiperidine-4-thiol.

Molecular Properties

Compound Name2-methylidenepiperidine-4-thiol
PubChem CID141013806
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name2-methylidenepiperidine-4-thiol
SMILESC=C1CC(S)CCN1
InChIInChI=1S/C6H11NS/c1-5-4-6(8)2-3-7-5/h6-8H,1-4H2
InChIKeyVRHGWBYLZOJCMW-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenepiperidine-4-thiol?
The IUPAC name of 2-methylidenepiperidine-4-thiol (CID 141013806) is 2-methylidenepiperidine-4-thiol.
What is the SMILES notation for 2-methylidenepiperidine-4-thiol?
The canonical SMILES for 2-methylidenepiperidine-4-thiol is C=C1CC(S)CCN1.
What is the InChIKey of 2-methylidenepiperidine-4-thiol?
The InChIKey is VRHGWBYLZOJCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-4-6(8)2-3-7-5/h6-8H,1-4H2.
What are the key properties of 2-methylidenepiperidine-4-thiol?
2-methylidenepiperidine-4-thiol has a molecular weight of 129.23 g/mol, XLogP of 1.18, 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 is sourced from PubChem (CID 141013806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).