3-ethylsulfinyl-1-methylpiperidine

C8H17NOS — CID 72744178

IUPAC3-ethylsulfinyl-1-methylpiperidine
SMILESCCS(=O)C1CCCN(C)C1
InChIInChI=1S/C8H17NOS/c1-3-11(10)8-5-4-6-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeyAIULKPWMHXPERC-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.85
Rot. Bonds2

About 3-ethylsulfinyl-1-methylpiperidine

3-ethylsulfinyl-1-methylpiperidine (PubChem CID 72744178) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-ethylsulfinyl-1-methylpiperidine.

Molecular Properties

Compound Name3-ethylsulfinyl-1-methylpiperidine
PubChem CID72744178
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-ethylsulfinyl-1-methylpiperidine
SMILESCCS(=O)C1CCCN(C)C1
InChIInChI=1S/C8H17NOS/c1-3-11(10)8-5-4-6-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeyAIULKPWMHXPERC-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethylsulfinyl-1-methylpiperidine 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 3-ethylsulfinyl-1-methylpiperidine?
The IUPAC name of 3-ethylsulfinyl-1-methylpiperidine (CID 72744178) is 3-ethylsulfinyl-1-methylpiperidine.
What is the SMILES notation for 3-ethylsulfinyl-1-methylpiperidine?
The canonical SMILES for 3-ethylsulfinyl-1-methylpiperidine is CCS(=O)C1CCCN(C)C1.
What is the InChIKey of 3-ethylsulfinyl-1-methylpiperidine?
The InChIKey is AIULKPWMHXPERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-11(10)8-5-4-6-9(2)7-8/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethylsulfinyl-1-methylpiperidine?
3-ethylsulfinyl-1-methylpiperidine has a molecular weight of 175.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfinyl-1-methylpiperidine is sourced from PubChem (CID 72744178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).