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

C12H21NS — CID 103277778

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine
SMILESCC1=CC(C)CC(C2NCC(C)S2)C1
InChIInChI=1S/C12H21NS/c1-8-4-9(2)6-11(5-8)12-13-7-10(3)14-12/h4,8,10-13H,5-7H2,1-3H3
InChIKeyIWEIBUCFPYQCRA-UHFFFAOYSA-N
MW211.37 g/mol
LogP3.03
Rot. Bonds1

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

2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine (PubChem CID 103277778) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine
PubChem CID103277778
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine
SMILESCC1=CC(C)CC(C2NCC(C)S2)C1
InChIInChI=1S/C12H21NS/c1-8-4-9(2)6-11(5-8)12-13-7-10(3)14-12/h4,8,10-13H,5-7H2,1-3H3
InChIKeyIWEIBUCFPYQCRA-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 53.03
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)-5-methyl-1,3-thiazolidine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine (CID 103277778) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine is CC1=CC(C)CC(C2NCC(C)S2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine?
The InChIKey is IWEIBUCFPYQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-8-4-9(2)6-11(5-8)12-13-7-10(3)14-12/h4,8,10-13H,5-7H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine?
2-(3,5-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-thiazolidine has a molecular weight of 211.37 g/mol, XLogP of 3.03, 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)-5-methyl-1,3-thiazolidine is sourced from PubChem (CID 103277778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).