4-cyclohex-2-en-1-ylthiomorpholine

C10H17NS — CID 127297369

IUPAC4-cyclohex-2-en-1-ylthiomorpholine
SMILESC1=CC(N2CCSCC2)CCC1
InChIInChI=1S/C10H17NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,10H,1,3,5-9H2
InChIKeyLWXRYYYFRGKHEK-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.14
Rot. Bonds1

About 4-cyclohex-2-en-1-ylthiomorpholine

4-cyclohex-2-en-1-ylthiomorpholine (PubChem CID 127297369) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-ylthiomorpholine.

Molecular Properties

Compound Name4-cyclohex-2-en-1-ylthiomorpholine
PubChem CID127297369
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name4-cyclohex-2-en-1-ylthiomorpholine
SMILESC1=CC(N2CCSCC2)CCC1
InChIInChI=1S/C10H17NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,10H,1,3,5-9H2
InChIKeyLWXRYYYFRGKHEK-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-ylthiomorpholine?
The IUPAC name of 4-cyclohex-2-en-1-ylthiomorpholine (CID 127297369) is 4-cyclohex-2-en-1-ylthiomorpholine.
What is the SMILES notation for 4-cyclohex-2-en-1-ylthiomorpholine?
The canonical SMILES for 4-cyclohex-2-en-1-ylthiomorpholine is C1=CC(N2CCSCC2)CCC1.
What is the InChIKey of 4-cyclohex-2-en-1-ylthiomorpholine?
The InChIKey is LWXRYYYFRGKHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h2,4,10H,1,3,5-9H2.
What are the key properties of 4-cyclohex-2-en-1-ylthiomorpholine?
4-cyclohex-2-en-1-ylthiomorpholine has a molecular weight of 183.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-ylthiomorpholine is sourced from PubChem (CID 127297369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).