dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane

C7H16NO2PS — CID 14090187

IUPACdimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)N1CCCCC1
InChIInChI=1S/C7H16NO2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyRPZSSVDWEFDLBW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.99
Rot. Bonds3

About dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane

dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane (PubChem CID 14090187) has the molecular formula C7H16NO2PS and a molecular weight of 209.25 g/mol. Its IUPAC name is dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
PubChem CID14090187
Molecular FormulaC7H16NO2PS
Molecular Weight209.25 g/mol
Exact Mass209.06
IUPAC Namedimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane
SMILESCOP(=S)(OC)N1CCCCC1
InChIInChI=1S/C7H16NO2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H2,1-2H3
InChIKeyRPZSSVDWEFDLBW-UHFFFAOYSA-N
XLogP1.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane 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 dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane (CID 14090187) is dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane is COP(=S)(OC)N1CCCCC1.
What is the InChIKey of dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
The InChIKey is RPZSSVDWEFDLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H2,1-2H3.
What are the key properties of dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane?
dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane has a molecular weight of 209.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy-piperidin-1-yl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14090187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).