3-phenyl-3-propoxythiomorpholine

C13H19NOS — CID 91048753

IUPAC3-phenyl-3-propoxythiomorpholine
SMILESCCCOC1(c2ccccc2)CSCCN1
InChIInChI=1S/C13H19NOS/c1-2-9-15-13(11-16-10-8-14-13)12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyTVJDEMWAOFCZDH-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.60
Rot. Bonds4

About 3-phenyl-3-propoxythiomorpholine

3-phenyl-3-propoxythiomorpholine (PubChem CID 91048753) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-phenyl-3-propoxythiomorpholine.

Molecular Properties

Compound Name3-phenyl-3-propoxythiomorpholine
PubChem CID91048753
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-phenyl-3-propoxythiomorpholine
SMILESCCCOC1(c2ccccc2)CSCCN1
InChIInChI=1S/C13H19NOS/c1-2-9-15-13(11-16-10-8-14-13)12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3
InChIKeyTVJDEMWAOFCZDH-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-3-propoxythiomorpholine 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-phenyl-3-propoxythiomorpholine?
The IUPAC name of 3-phenyl-3-propoxythiomorpholine (CID 91048753) is 3-phenyl-3-propoxythiomorpholine.
What is the SMILES notation for 3-phenyl-3-propoxythiomorpholine?
The canonical SMILES for 3-phenyl-3-propoxythiomorpholine is CCCOC1(c2ccccc2)CSCCN1.
What is the InChIKey of 3-phenyl-3-propoxythiomorpholine?
The InChIKey is TVJDEMWAOFCZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-9-15-13(11-16-10-8-14-13)12-6-4-3-5-7-12/h3-7,14H,2,8-11H2,1H3.
What are the key properties of 3-phenyl-3-propoxythiomorpholine?
3-phenyl-3-propoxythiomorpholine has a molecular weight of 237.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-propoxythiomorpholine is sourced from PubChem (CID 91048753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).