2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone

C12H19NOS — CID 164653805

IUPAC2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone
SMILESO=C(CC1CC=CCC1)C1CNCCS1
InChIInChI=1S/C12H19NOS/c14-11(12-9-13-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,10,12-13H,3-9H2
InChIKeyMXGDBCYYUCRNET-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.01
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone

2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone (PubChem CID 164653805) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone
PubChem CID164653805
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone
SMILESO=C(CC1CC=CCC1)C1CNCCS1
InChIInChI=1S/C12H19NOS/c14-11(12-9-13-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,10,12-13H,3-9H2
InChIKeyMXGDBCYYUCRNET-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone?
The IUPAC name of 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone (CID 164653805) is 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone is O=C(CC1CC=CCC1)C1CNCCS1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone?
The InChIKey is MXGDBCYYUCRNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c14-11(12-9-13-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,10,12-13H,3-9H2.
What are the key properties of 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone?
2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone has a molecular weight of 225.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1-thiomorpholin-2-ylethanone is sourced from PubChem (CID 164653805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).