4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine

C13H21NOS — CID 177018374

IUPAC4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine
SMILESC=CC1=C(SC)CC(N2CCOCC2)CC1
InChIInChI=1S/C13H21NOS/c1-3-11-4-5-12(10-13(11)16-2)14-6-8-15-9-7-14/h3,12H,1,4-10H2,2H3
InChIKeyWPFALFNOJSDYNB-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.67
Rot. Bonds3

About 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine

4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine (PubChem CID 177018374) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine
PubChem CID177018374
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine
SMILESC=CC1=C(SC)CC(N2CCOCC2)CC1
InChIInChI=1S/C13H21NOS/c1-3-11-4-5-12(10-13(11)16-2)14-6-8-15-9-7-14/h3,12H,1,4-10H2,2H3
InChIKeyWPFALFNOJSDYNB-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-Methyl-1-(1-methylsulfanylcyclohexa-2,4-dien-1-yl)propan-2-yl]morpholine
CID 139786823
4-[[(5R)-5-methylsulfanylcyclohexa-1,3-dien-1-yl]methyl]morpholine
CID 156227050

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine?
The IUPAC name of 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine (CID 177018374) is 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine.
What is the SMILES notation for 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine?
The canonical SMILES for 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine is C=CC1=C(SC)CC(N2CCOCC2)CC1.
What is the InChIKey of 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine?
The InChIKey is WPFALFNOJSDYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-11-4-5-12(10-13(11)16-2)14-6-8-15-9-7-14/h3,12H,1,4-10H2,2H3.
What are the key properties of 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine?
4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine has a molecular weight of 239.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenyl-3-methylsulfanylcyclohex-3-en-1-yl)morpholine is sourced from PubChem (CID 177018374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).