6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one

C12H17NO2S — CID 66775286

IUPAC6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCSC1=CC(C)(N2CCOCC2)C(=O)C=C1
InChIInChI=1S/C12H17NO2S/c1-12(13-5-7-15-8-6-13)9-10(16-2)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3
InChIKeyBYCPKLJZKWELNX-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.46
Rot. Bonds2

About 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one

6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one (PubChem CID 66775286) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
PubChem CID66775286
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one
SMILESCSC1=CC(C)(N2CCOCC2)C(=O)C=C1
InChIInChI=1S/C12H17NO2S/c1-12(13-5-7-15-8-6-13)9-10(16-2)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3
InChIKeyBYCPKLJZKWELNX-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one (CID 66775286) is 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one is CSC1=CC(C)(N2CCOCC2)C(=O)C=C1.
What is the InChIKey of 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
The InChIKey is BYCPKLJZKWELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-12(13-5-7-15-8-6-13)9-10(16-2)3-4-11(12)14/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one?
6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-methylsulfanyl-6-morpholin-4-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 66775286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).