3-phenyl-4-sulfanylmorpholine

C10H13NOS — CID 126759957

IUPAC3-phenyl-4-sulfanylmorpholine
SMILESSN1CCOCC1c1ccccc1
InChIInChI=1S/C10H13NOS/c13-11-6-7-12-8-10(11)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyGQQQJVRYTSHEIT-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.90
Rot. Bonds1

About 3-phenyl-4-sulfanylmorpholine

3-phenyl-4-sulfanylmorpholine (PubChem CID 126759957) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-phenyl-4-sulfanylmorpholine.

Molecular Properties

Compound Name3-phenyl-4-sulfanylmorpholine
PubChem CID126759957
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-phenyl-4-sulfanylmorpholine
SMILESSN1CCOCC1c1ccccc1
InChIInChI=1S/C10H13NOS/c13-11-6-7-12-8-10(11)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyGQQQJVRYTSHEIT-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-sulfanylmorpholine?
The IUPAC name of 3-phenyl-4-sulfanylmorpholine (CID 126759957) is 3-phenyl-4-sulfanylmorpholine.
What is the SMILES notation for 3-phenyl-4-sulfanylmorpholine?
The canonical SMILES for 3-phenyl-4-sulfanylmorpholine is SN1CCOCC1c1ccccc1.
What is the InChIKey of 3-phenyl-4-sulfanylmorpholine?
The InChIKey is GQQQJVRYTSHEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c13-11-6-7-12-8-10(11)9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of 3-phenyl-4-sulfanylmorpholine?
3-phenyl-4-sulfanylmorpholine has a molecular weight of 195.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-sulfanylmorpholine is sourced from PubChem (CID 126759957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).