6-methyl-4-phenylthiomorpholin-3-one

C11H13NOS — CID 2952867

IUPAC6-methyl-4-phenylthiomorpholin-3-one
SMILESCC1CN(c2ccccc2)C(=O)CS1
InChIInChI=1S/C11H13NOS/c1-9-7-12(11(13)8-14-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyUYZQGWBTKHNUCL-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.15
Rot. Bonds1

About 6-methyl-4-phenylthiomorpholin-3-one

6-methyl-4-phenylthiomorpholin-3-one (PubChem CID 2952867) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 6-methyl-4-phenylthiomorpholin-3-one.

Molecular Properties

Compound Name6-methyl-4-phenylthiomorpholin-3-one
PubChem CID2952867
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name6-methyl-4-phenylthiomorpholin-3-one
SMILESCC1CN(c2ccccc2)C(=O)CS1
InChIInChI=1S/C11H13NOS/c1-9-7-12(11(13)8-14-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyUYZQGWBTKHNUCL-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenylthiomorpholin-3-one?
The IUPAC name of 6-methyl-4-phenylthiomorpholin-3-one (CID 2952867) is 6-methyl-4-phenylthiomorpholin-3-one.
What is the SMILES notation for 6-methyl-4-phenylthiomorpholin-3-one?
The canonical SMILES for 6-methyl-4-phenylthiomorpholin-3-one is CC1CN(c2ccccc2)C(=O)CS1.
What is the InChIKey of 6-methyl-4-phenylthiomorpholin-3-one?
The InChIKey is UYZQGWBTKHNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-9-7-12(11(13)8-14-9)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 6-methyl-4-phenylthiomorpholin-3-one?
6-methyl-4-phenylthiomorpholin-3-one has a molecular weight of 207.30 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenylthiomorpholin-3-one is sourced from PubChem (CID 2952867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).