3-(4-methyl-2-sulfanylphenyl)morpholin-2-one

C11H13NO2S — CID 175363789

IUPAC3-(4-methyl-2-sulfanylphenyl)morpholin-2-one
SMILESCc1ccc(C2NCCOC2=O)c(S)c1
InChIInChI=1S/C11H13NO2S/c1-7-2-3-8(9(15)6-7)10-11(13)14-5-4-12-10/h2-3,6,10,12,15H,4-5H2,1H3
InChIKeyMUQHRRUINSTZFY-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.47
Rot. Bonds1

About 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one

3-(4-methyl-2-sulfanylphenyl)morpholin-2-one (PubChem CID 175363789) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one.

Molecular Properties

Compound Name3-(4-methyl-2-sulfanylphenyl)morpholin-2-one
PubChem CID175363789
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name3-(4-methyl-2-sulfanylphenyl)morpholin-2-one
SMILESCc1ccc(C2NCCOC2=O)c(S)c1
InChIInChI=1S/C11H13NO2S/c1-7-2-3-8(9(15)6-7)10-11(13)14-5-4-12-10/h2-3,6,10,12,15H,4-5H2,1H3
InChIKeyMUQHRRUINSTZFY-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 3615121
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
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2-(2-ethyl-4-methylphenyl)-1,3-dioxolane
CID 123214481
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CID 171184970
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CID 105471586
6-methyl-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 52983529
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
3-(3-methylphenoxy)oxolan-2-one
CID 71360233
6-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid;hydrochloride
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CID 55252949

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one?
The IUPAC name of 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one (CID 175363789) is 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one.
What is the SMILES notation for 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one?
The canonical SMILES for 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one is Cc1ccc(C2NCCOC2=O)c(S)c1.
What is the InChIKey of 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one?
The InChIKey is MUQHRRUINSTZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-7-2-3-8(9(15)6-7)10-11(13)14-5-4-12-10/h2-3,6,10,12,15H,4-5H2,1H3.
What are the key properties of 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one?
3-(4-methyl-2-sulfanylphenyl)morpholin-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-sulfanylphenyl)morpholin-2-one is sourced from PubChem (CID 175363789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).