2-methoxy-1-sulfanylpiperidine

C6H13NOS — CID 173177875

IUPAC2-methoxy-1-sulfanylpiperidine
SMILESCOC1CCCCN1S
InChIInChI=1S/C6H13NOS/c1-8-6-4-2-3-5-7(6)9/h6,9H,2-5H2,1H3
InChIKeyTYAVBTCVRQNUKU-UHFFFAOYSA-N
MW147.24 g/mol
LogP1.29
Rot. Bonds1

About 2-methoxy-1-sulfanylpiperidine

2-methoxy-1-sulfanylpiperidine (PubChem CID 173177875) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 2-methoxy-1-sulfanylpiperidine.

Molecular Properties

Compound Name2-methoxy-1-sulfanylpiperidine
PubChem CID173177875
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name2-methoxy-1-sulfanylpiperidine
SMILESCOC1CCCCN1S
InChIInChI=1S/C6H13NOS/c1-8-6-4-2-3-5-7(6)9/h6,9H,2-5H2,1H3
InChIKeyTYAVBTCVRQNUKU-UHFFFAOYSA-N
XLogP1.29
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-1-sulfanylpiperidine 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 2-methoxy-1-sulfanylpiperidine?
The IUPAC name of 2-methoxy-1-sulfanylpiperidine (CID 173177875) is 2-methoxy-1-sulfanylpiperidine.
What is the SMILES notation for 2-methoxy-1-sulfanylpiperidine?
The canonical SMILES for 2-methoxy-1-sulfanylpiperidine is COC1CCCCN1S.
What is the InChIKey of 2-methoxy-1-sulfanylpiperidine?
The InChIKey is TYAVBTCVRQNUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-8-6-4-2-3-5-7(6)9/h6,9H,2-5H2,1H3.
What are the key properties of 2-methoxy-1-sulfanylpiperidine?
2-methoxy-1-sulfanylpiperidine has a molecular weight of 147.24 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-sulfanylpiperidine is sourced from PubChem (CID 173177875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).