4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine

C12H19NOS — CID 141146962

IUPAC4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine
SMILESCSC1=CC(C)(N2CCOCC2)CC=C1
InChIInChI=1S/C12H19NOS/c1-12(13-6-8-14-9-7-13)5-3-4-11(10-12)15-2/h3-4,10H,5-9H2,1-2H3
InChIKeyCOVUBMJMHPYYNA-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.28
Rot. Bonds2

About 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine

4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine (PubChem CID 141146962) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine
PubChem CID141146962
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine
SMILESCSC1=CC(C)(N2CCOCC2)CC=C1
InChIInChI=1S/C12H19NOS/c1-12(13-6-8-14-9-7-13)5-3-4-11(10-12)15-2/h3-4,10H,5-9H2,1-2H3
InChIKeyCOVUBMJMHPYYNA-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine?
The IUPAC name of 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine (CID 141146962) is 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine.
What is the SMILES notation for 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine?
The canonical SMILES for 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine is CSC1=CC(C)(N2CCOCC2)CC=C1.
What is the InChIKey of 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine?
The InChIKey is COVUBMJMHPYYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(13-6-8-14-9-7-13)5-3-4-11(10-12)15-2/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine?
4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine has a molecular weight of 225.36 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-yl)morpholine is sourced from PubChem (CID 141146962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).