4-ethyl-1-phenylsulfanylpiperidine

C13H19NS — CID 88999281

IUPAC4-ethyl-1-phenylsulfanylpiperidine
SMILESCCC1CCN(Sc2ccccc2)CC1
InChIInChI=1S/C13H19NS/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyBNPFSRGMTNOVQH-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.82
Rot. Bonds3

About 4-ethyl-1-phenylsulfanylpiperidine

4-ethyl-1-phenylsulfanylpiperidine (PubChem CID 88999281) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-ethyl-1-phenylsulfanylpiperidine.

Molecular Properties

Compound Name4-ethyl-1-phenylsulfanylpiperidine
PubChem CID88999281
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name4-ethyl-1-phenylsulfanylpiperidine
SMILESCCC1CCN(Sc2ccccc2)CC1
InChIInChI=1S/C13H19NS/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyBNPFSRGMTNOVQH-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethyl-1-phenylsulfanylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenylsulfanylpiperidine?
The IUPAC name of 4-ethyl-1-phenylsulfanylpiperidine (CID 88999281) is 4-ethyl-1-phenylsulfanylpiperidine.
What is the SMILES notation for 4-ethyl-1-phenylsulfanylpiperidine?
The canonical SMILES for 4-ethyl-1-phenylsulfanylpiperidine is CCC1CCN(Sc2ccccc2)CC1.
What is the InChIKey of 4-ethyl-1-phenylsulfanylpiperidine?
The InChIKey is BNPFSRGMTNOVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-12-8-10-14(11-9-12)15-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 4-ethyl-1-phenylsulfanylpiperidine?
4-ethyl-1-phenylsulfanylpiperidine has a molecular weight of 221.37 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenylsulfanylpiperidine is sourced from PubChem (CID 88999281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).