4-phenylthiomorpholin-3-one

C10H11NOS — CID 70476130

IUPAC4-phenylthiomorpholin-3-one
SMILESO=C1CSCCN1c1ccccc1
InChIInChI=1S/C10H11NOS/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyBSHPDDXVQBVLEI-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.77
Rot. Bonds1

About 4-phenylthiomorpholin-3-one

4-phenylthiomorpholin-3-one (PubChem CID 70476130) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-phenylthiomorpholin-3-one.

Molecular Properties

Compound Name4-phenylthiomorpholin-3-one
PubChem CID70476130
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name4-phenylthiomorpholin-3-one
SMILESO=C1CSCCN1c1ccccc1
InChIInChI=1S/C10H11NOS/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyBSHPDDXVQBVLEI-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 7051
CID 7051
CID 10727
CID 10727
CID 11364
CID 11364
CID 6008
CID 6008
CID 98327
CID 98327
CID 87241
CID 87241
CID 32475
CID 32475
CID 17098
CID 17098
CID 527024
CID 527024
CID 205876
CID 205876
CID 831798
CID 831798
CID 94892
CID 94892

Frequently Asked Questions

What is the IUPAC name of 4-phenylthiomorpholin-3-one?
The IUPAC name of 4-phenylthiomorpholin-3-one (CID 70476130) is 4-phenylthiomorpholin-3-one.
What is the SMILES notation for 4-phenylthiomorpholin-3-one?
The canonical SMILES for 4-phenylthiomorpholin-3-one is O=C1CSCCN1c1ccccc1.
What is the InChIKey of 4-phenylthiomorpholin-3-one?
The InChIKey is BSHPDDXVQBVLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 4-phenylthiomorpholin-3-one?
4-phenylthiomorpholin-3-one has a molecular weight of 193.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiomorpholin-3-one is sourced from PubChem (CID 70476130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).