2-phenylthiomorpholin-3-one

C10H11NOS — CID 2778760

IUPAC2-phenylthiomorpholin-3-one
SMILESO=C1NCCSC1c1ccccc1
InChIInChI=1S/C10H11NOS/c12-10-9(13-7-6-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeyGWXBCKSRRQCIEM-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.59
Rot. Bonds1

About 2-phenylthiomorpholin-3-one

2-phenylthiomorpholin-3-one (PubChem CID 2778760) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-phenylthiomorpholin-3-one.

Molecular Properties

Compound Name2-phenylthiomorpholin-3-one
PubChem CID2778760
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-phenylthiomorpholin-3-one
SMILESO=C1NCCSC1c1ccccc1
InChIInChI=1S/C10H11NOS/c12-10-9(13-7-6-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeyGWXBCKSRRQCIEM-UHFFFAOYSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylthiomorpholin-3-one?
The IUPAC name of 2-phenylthiomorpholin-3-one (CID 2778760) is 2-phenylthiomorpholin-3-one.
What is the SMILES notation for 2-phenylthiomorpholin-3-one?
The canonical SMILES for 2-phenylthiomorpholin-3-one is O=C1NCCSC1c1ccccc1.
What is the InChIKey of 2-phenylthiomorpholin-3-one?
The InChIKey is GWXBCKSRRQCIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-10-9(13-7-6-11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12).
What are the key properties of 2-phenylthiomorpholin-3-one?
2-phenylthiomorpholin-3-one has a molecular weight of 193.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylthiomorpholin-3-one is sourced from PubChem (CID 2778760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).