2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine

C13H23NS — CID 103277785

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1=CC(C)CC(C2NC(C)(C)CS2)C1
InChIInChI=1S/C13H23NS/c1-9-5-10(2)7-11(6-9)12-14-13(3,4)8-15-12/h5,9,11-12,14H,6-8H2,1-4H3
InChIKeyYLHKUZHNLYSMPU-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.42
Rot. Bonds1

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine

2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine (PubChem CID 103277785) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine
PubChem CID103277785
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCC1=CC(C)CC(C2NC(C)(C)CS2)C1
InChIInChI=1S/C13H23NS/c1-9-5-10(2)7-11(6-9)12-14-13(3,4)8-15-12/h5,9,11-12,14H,6-8H2,1-4H3
InChIKeyYLHKUZHNLYSMPU-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.42
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
6-Ethyl-2-methyl-2,3,3a,4,7,7a-hexahydro-1,3-benzothiazole
CID 89272406
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
N-[3-(3,5-dimethyl-6-methylsulfanylcyclohex-3-en-1-yl)propyl]pentan-2-amine
CID 146635349
2,5-Dimethyl-2,3,3a,4,5,7a-hexahydro-1,3-benzothiazole
CID 155028433
(Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine
CID 166767361
2-Cyclohex-3-en-1-yl-1,3-thiazolidine
CID 20569648
N-(cyclohex-3-en-1-ylmethyl)thiolan-3-amine
CID 61951484
2-Cyclohex-3-en-1-yl-4-methyl-1,3-thiazolidine
CID 66216932

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine (CID 103277785) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine is CC1=CC(C)CC(C2NC(C)(C)CS2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is YLHKUZHNLYSMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-9-5-10(2)7-11(6-9)12-14-13(3,4)8-15-12/h5,9,11-12,14H,6-8H2,1-4H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine?
2-(3,5-dimethylcyclohex-3-en-1-yl)-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 225.40 g/mol, XLogP of 3.42, 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)-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 103277785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).