2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine

C11H19NS — CID 66228750

IUPAC2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(C2CC=CCC2)N1
InChIInChI=1S/C11H19NS/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyAQICNLJGZUXYQL-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.78
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine

2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine (PubChem CID 66228750) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine
PubChem CID66228750
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(C2CC=CCC2)N1
InChIInChI=1S/C11H19NS/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyAQICNLJGZUXYQL-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine (CID 66228750) is 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine is CC1(C)CSC(C2CC=CCC2)N1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is AQICNLJGZUXYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-11(2)8-13-10(12-11)9-6-4-3-5-7-9/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine?
2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 197.35 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 66228750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).