3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane

C13H23NS — CID 143862264

IUPAC3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane
SMILESCC.CN1CCSCC1C1=CCCC=C1
InChIInChI=1S/C11H17NS.C2H6/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10;1-2/h3,5-6,11H,2,4,7-9H2,1H3;1-2H3
InChIKeyOBIDAEFOZMWVBH-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.34
Rot. Bonds1

About 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane

3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane (PubChem CID 143862264) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane
PubChem CID143862264
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane
SMILESCC.CN1CCSCC1C1=CCCC=C1
InChIInChI=1S/C11H17NS.C2H6/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10;1-2/h3,5-6,11H,2,4,7-9H2,1H3;1-2H3
InChIKeyOBIDAEFOZMWVBH-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.34
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
1-(4a,6,10,11-Tetrahydrobenzo[d][1]benzothiepin-11-yl)-4-methylpiperazine
CID 53776351
3a,4,5a,9a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzothiazine
CID 69060059
4-Cyclohexa-2,4-dien-1-ylthiomorpholine
CID 86158316
4-(2-Prop-1-enylpent-2-enyl)thiomorpholine
CID 123294511
4-(2-Ethenylbut-2-enyl)thiomorpholine
CID 123822515
4-ethenylsulfanyl-5-methyl-1-[(2E,3Z)-2-prop-2-enylidenehexa-3,5-dienyl]-3,6-dihydro-2H-pyridine
CID 129127064
4-(4-Methylcyclohexa-2,4-dien-1-yl)thiomorpholine
CID 141800896
6-Methyl-4-thiomorpholin-4-ylcyclohexa-1,5-diene-1-thiol
CID 141802775
7-Methyl-2,5,6,8-tetrahydrothiopyrano[2,3-c]pyridine
CID 142914686
ethane;(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine
CID 143411151

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane (CID 143862264) is 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane is CC.CN1CCSCC1C1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane?
The InChIKey is OBIDAEFOZMWVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS.C2H6/c1-12-7-8-13-9-11(12)10-5-3-2-4-6-10;1-2/h3,5-6,11H,2,4,7-9H2,1H3;1-2H3.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane?
3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane has a molecular weight of 225.40 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-4-methylthiomorpholine;ethane is sourced from PubChem (CID 143862264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).