2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine

C11H19NS — CID 103277777

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine
SMILESCC1=CC(C)CC(C2NCCS2)C1
InChIInChI=1S/C11H19NS/c1-8-5-9(2)7-10(6-8)11-12-3-4-13-11/h5,8,10-12H,3-4,6-7H2,1-2H3
InChIKeyZWFFNMMDTJYRDX-UHFFFAOYSA-N
MW197.35 g/mol
LogP2.64
Rot. Bonds1

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine

2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine (PubChem CID 103277777) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine
PubChem CID103277777
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine
SMILESCC1=CC(C)CC(C2NCCS2)C1
InChIInChI=1S/C11H19NS/c1-8-5-9(2)7-10(6-8)11-12-3-4-13-11/h5,8,10-12H,3-4,6-7H2,1-2H3
InChIKeyZWFFNMMDTJYRDX-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethylhept-5-en-1-yl)-1,3-thiazolidine
CID 3058776
Methylthio-octahydroisoquinoline
CID 129817782
1-(trichloromethylsulfanyl)-2,3,3a,4,5,6-hexahydro-1H-isoindole
CID 70425183
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
4-(7-Methyl-2,3,4,5-tetrahydrothiepin-2-yl)piperidine
CID 123393048
N-methyl-1-(2-methyl-3-prop-1-en-2-ylsulfanylcyclohex-2-en-1-yl)methanamine
CID 132196064
2-Methyl-5-(4-methylcyclohexen-1-yl)-4-(4-methylcyclohexyl)-1,3-thiazolidine
CID 142009824
2,2-Dimethyl-8-(3-methylbutylidene)-1-thia-4-azaspiro[4.5]decane
CID 142647190
7-methyl-6-(2-methylprop-1-enylsulfanyl)-2,3,3a,4,5,7a-hexahydro-1H-isoindole
CID 143198967
2,6-dimethyl-N-[(2-methyl-1,3-thiazolidin-5-yl)methyl]cyclohex-2-en-1-amine;ethane;propane
CID 143703564
4-(6-methyl-3,4-dihydro-2H-thiopyran-2-yl)piperidine
CID 145587761
N-[3-(3,5-dimethyl-6-methylsulfanylcyclohex-3-en-1-yl)propyl]pentan-2-amine
CID 146635349

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine (CID 103277777) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine is CC1=CC(C)CC(C2NCCS2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine?
The InChIKey is ZWFFNMMDTJYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8-5-9(2)7-10(6-8)11-12-3-4-13-11/h5,8,10-12H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine?
2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine has a molecular weight of 197.35 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)-1,3-thiazolidine is sourced from PubChem (CID 103277777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).