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

C13H17NO3S — CID 4661838

IUPAC(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO3S/c1-16-12-9-10(18-2)3-4-11(12)13(15)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3
InChIKeyVXIVMXHZLVIZJW-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.89
Rot. Bonds3

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

(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone (PubChem CID 4661838) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
PubChem CID4661838
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(SC)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C13H17NO3S/c1-16-12-9-10(18-2)3-4-11(12)13(15)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3
InChIKeyVXIVMXHZLVIZJW-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-4-methylsulfanylphenyl)-piperidin-1-ylmethanone
CID 4635913
(4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 1126109
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 9100615
[2-[[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]oxymethyl]morpholin-4-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 3849791
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226
1-[3,5-difluoro-4-[[4-(2-methoxy-4-methylsulfanylbenzoyl)morpholin-2-yl]methoxy]phenyl]propan-1-one
CID 3768137
(3,4-difluoro-2-methoxyphenyl)-morpholin-4-ylmethanone
CID 164512719
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
CID 157370853
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 43885604
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone (CID 4661838) is (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone is COc1cc(SC)ccc1C(=O)N1CCOCC1.
What is the InChIKey of (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone?
The InChIKey is VXIVMXHZLVIZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-16-12-9-10(18-2)3-4-11(12)13(15)14-5-7-17-8-6-14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone?
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone has a molecular weight of 267.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 4661838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).