4-cyclohexa-2,4-dien-1-ylthiomorpholine

C10H15NS — CID 86158316

IUPAC4-cyclohexa-2,4-dien-1-ylthiomorpholine
SMILESC1=CCC(N2CCSCC2)C=C1
InChIInChI=1S/C10H15NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-4,10H,5-9H2
InChIKeyJNGWJOMVYMKZLM-UHFFFAOYSA-N
MW181.30 g/mol
LogP1.92
Rot. Bonds1

About 4-cyclohexa-2,4-dien-1-ylthiomorpholine

4-cyclohexa-2,4-dien-1-ylthiomorpholine (PubChem CID 86158316) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-ylthiomorpholine.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-ylthiomorpholine
PubChem CID86158316
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-cyclohexa-2,4-dien-1-ylthiomorpholine
SMILESC1=CCC(N2CCSCC2)C=C1
InChIInChI=1S/C10H15NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-4,10H,5-9H2
InChIKeyJNGWJOMVYMKZLM-UHFFFAOYSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-Difluoro-4-methylcyclohexa-2,4-dien-1-yl)thiomorpholine
CID 118618090
9,9-Dimethyl-3-thionia-9-azoniabicyclo[3.3.1]non-6-ene iodide
CID 24192238
3,4,4a,5-tetrahydro-2H-1,4-benzothiazine
CID 21873687
3a,4,5a,9a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzothiazine
CID 69060059
4-Cyclohex-2-en-1-ylthiomorpholine
CID 127297369
3,4,4a,8a-tetrahydro-2H-1,4-benzothiazine
CID 139448436
4-(4-Methylcyclohexa-2,4-dien-1-yl)thiomorpholine
CID 141800896
6-Methyl-4-thiomorpholin-4-ylcyclohexa-1,5-diene-1-thiol
CID 141802775
3-Cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane
CID 143862264
9,9-Dimethyl-3-thia-9-azoniabicyclo[3.3.1]non-6-ene
CID 421544
9,9-Dimethyl-3-thia-9-azoniabicyclo[3.3.1]non-6-ene iodide
CID 90482006
4-[(4-Thiomorpholino)methyl]phenylmagnesium bromide, 0.25M in THF
CID 91655405

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-ylthiomorpholine?
The IUPAC name of 4-cyclohexa-2,4-dien-1-ylthiomorpholine (CID 86158316) is 4-cyclohexa-2,4-dien-1-ylthiomorpholine.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-ylthiomorpholine?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-ylthiomorpholine is C1=CCC(N2CCSCC2)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-ylthiomorpholine?
The InChIKey is JNGWJOMVYMKZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-4,10H,5-9H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-ylthiomorpholine?
4-cyclohexa-2,4-dien-1-ylthiomorpholine has a molecular weight of 181.30 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-ylthiomorpholine is sourced from PubChem (CID 86158316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).