5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione

C12H19NOS — CID 2311862

IUPAC5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione
SMILESCC1(C)CC(=S)C=C(N2CCOCC2)C1
InChIInChI=1S/C12H19NOS/c1-12(2)8-10(7-11(15)9-12)13-3-5-14-6-4-13/h7H,3-6,8-9H2,1-2H3
InChIKeyFSALARLWURQIHF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.39
Rot. Bonds1

About 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione

5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione (PubChem CID 2311862) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione.

Molecular Properties

Compound Name5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione
PubChem CID2311862
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione
SMILESCC1(C)CC(=S)C=C(N2CCOCC2)C1
InChIInChI=1S/C12H19NOS/c1-12(2)8-10(7-11(15)9-12)13-3-5-14-6-4-13/h7H,3-6,8-9H2,1-2H3
InChIKeyFSALARLWURQIHF-UHFFFAOYSA-N
XLogP2.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1-morpholinocyclohexene
CID 306090
4-(6-Methylcyclohex-1-en-1-yl)morpholine
CID 15570195
Morpholine, 4-[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]-
CID 11356517
4-(4-Ethylcyclohexen-1-yl)morpholine
CID 57952159
Morpholine, 4-(3-methylcyclohex-1-enyl)-
CID 597277
4-(4-Propan-2-ylcyclohexen-1-yl)morpholine
CID 20259871
3,7-Dimethyl-1-morpholin-4-yloct-6-ene-1-thione
CID 176426015
4-(5,5-Dimethyl-3-propan-2-ylidenecyclohexen-1-yl)morpholine
CID 613363
4-(6-Propyl-1-cyclohexen-1-yl)morpholine
CID 22217591
4-(3-Ethylidene-5,5-dimethyl-1-cyclohexen-1-yl)morpholine
CID 90471503
3-Morpholin-4-ylcyclohex-2-ene-1-thione
CID 12468858
4-(5-Methylcyclohexen-1-yl)morpholine
CID 12473585

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione?
The IUPAC name of 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione (CID 2311862) is 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione.
What is the SMILES notation for 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione?
The canonical SMILES for 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione is CC1(C)CC(=S)C=C(N2CCOCC2)C1.
What is the InChIKey of 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione?
The InChIKey is FSALARLWURQIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-12(2)8-10(7-11(15)9-12)13-3-5-14-6-4-13/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione?
5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione has a molecular weight of 225.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-morpholin-4-ylcyclohex-2-ene-1-thione is sourced from PubChem (CID 2311862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).