4-(3-methoxypropylsulfanylmethyl)piperidine

C10H21NOS — CID 63857241

IUPAC4-(3-methoxypropylsulfanylmethyl)piperidine
SMILESCOCCCSCC1CCNCC1
InChIInChI=1S/C10H21NOS/c1-12-7-2-8-13-9-10-3-5-11-6-4-10/h10-11H,2-9H2,1H3
InChIKeyDYXWCRIXMXPPMO-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.76
Rot. Bonds6

About 4-(3-methoxypropylsulfanylmethyl)piperidine

4-(3-methoxypropylsulfanylmethyl)piperidine (PubChem CID 63857241) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-(3-methoxypropylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-(3-methoxypropylsulfanylmethyl)piperidine
PubChem CID63857241
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-(3-methoxypropylsulfanylmethyl)piperidine
SMILESCOCCCSCC1CCNCC1
InChIInChI=1S/C10H21NOS/c1-12-7-2-8-13-9-10-3-5-11-6-4-10/h10-11H,2-9H2,1H3
InChIKeyDYXWCRIXMXPPMO-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-methoxypropylsulfanylmethyl)piperidine 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-(3-methoxypropylsulfanylmethyl)piperidine?
The IUPAC name of 4-(3-methoxypropylsulfanylmethyl)piperidine (CID 63857241) is 4-(3-methoxypropylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-(3-methoxypropylsulfanylmethyl)piperidine?
The canonical SMILES for 4-(3-methoxypropylsulfanylmethyl)piperidine is COCCCSCC1CCNCC1.
What is the InChIKey of 4-(3-methoxypropylsulfanylmethyl)piperidine?
The InChIKey is DYXWCRIXMXPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-12-7-2-8-13-9-10-3-5-11-6-4-10/h10-11H,2-9H2,1H3.
What are the key properties of 4-(3-methoxypropylsulfanylmethyl)piperidine?
4-(3-methoxypropylsulfanylmethyl)piperidine has a molecular weight of 203.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylsulfanylmethyl)piperidine is sourced from PubChem (CID 63857241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).