4-ethylpiperidine-4-thiol

C7H15NS — CID 54175704

IUPAC4-ethylpiperidine-4-thiol
SMILESCCC1(S)CCNCC1
InChIInChI=1S/C7H15NS/c1-2-7(9)3-5-8-6-4-7/h8-9H,2-6H2,1H3
InChIKeyZCZKBOJCYQIISU-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.45
Rot. Bonds1

About 4-ethylpiperidine-4-thiol

4-ethylpiperidine-4-thiol (PubChem CID 54175704) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 4-ethylpiperidine-4-thiol.

Molecular Properties

Compound Name4-ethylpiperidine-4-thiol
PubChem CID54175704
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name4-ethylpiperidine-4-thiol
SMILESCCC1(S)CCNCC1
InChIInChI=1S/C7H15NS/c1-2-7(9)3-5-8-6-4-7/h8-9H,2-6H2,1H3
InChIKeyZCZKBOJCYQIISU-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.45
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 4-ethylpiperidine-4-thiol?
The IUPAC name of 4-ethylpiperidine-4-thiol (CID 54175704) is 4-ethylpiperidine-4-thiol.
What is the SMILES notation for 4-ethylpiperidine-4-thiol?
The canonical SMILES for 4-ethylpiperidine-4-thiol is CCC1(S)CCNCC1.
What is the InChIKey of 4-ethylpiperidine-4-thiol?
The InChIKey is ZCZKBOJCYQIISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-2-7(9)3-5-8-6-4-7/h8-9H,2-6H2,1H3.
What are the key properties of 4-ethylpiperidine-4-thiol?
4-ethylpiperidine-4-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperidine-4-thiol is sourced from PubChem (CID 54175704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).