(2-methylsulfanylphenyl)-morpholin-4-ylmethanone

C12H15NO2S — CID 966864

IUPAC(2-methylsulfanylphenyl)-morpholin-4-ylmethanone
SMILESCSc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C12H15NO2S/c1-16-11-5-3-2-4-10(11)12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeyUJGFCOJTOPSIGB-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.88
Rot. Bonds2

About (2-methylsulfanylphenyl)-morpholin-4-ylmethanone

(2-methylsulfanylphenyl)-morpholin-4-ylmethanone (PubChem CID 966864) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-morpholin-4-ylmethanone
PubChem CID966864
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name(2-methylsulfanylphenyl)-morpholin-4-ylmethanone
SMILESCSc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C12H15NO2S/c1-16-11-5-3-2-4-10(11)12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3
InChIKeyUJGFCOJTOPSIGB-UHFFFAOYSA-N
XLogP1.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methylsulfanylphenyl)-morpholin-4-ylmethanone (CID 966864) is (2-methylsulfanylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methylsulfanylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methylsulfanylphenyl)-morpholin-4-ylmethanone is CSc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of (2-methylsulfanylphenyl)-morpholin-4-ylmethanone?
The InChIKey is UJGFCOJTOPSIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-16-11-5-3-2-4-10(11)12(14)13-6-8-15-9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-morpholin-4-ylmethanone?
(2-methylsulfanylphenyl)-morpholin-4-ylmethanone has a molecular weight of 237.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 966864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).