2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane

C13H23NS — CID 103277781

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane
SMILESCC1=CC(C)CC(C2NC(C)CCS2)C1
InChIInChI=1S/C13H23NS/c1-9-6-10(2)8-12(7-9)13-14-11(3)4-5-15-13/h6,9,11-14H,4-5,7-8H2,1-3H3
InChIKeyPZDOPIREQGZNMX-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.42
Rot. Bonds1

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane

2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane (PubChem CID 103277781) 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-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane
PubChem CID103277781
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane
SMILESCC1=CC(C)CC(C2NC(C)CCS2)C1
InChIInChI=1S/C13H23NS/c1-9-6-10(2)8-12(7-9)13-14-11(3)4-5-15-13/h6,9,11-14H,4-5,7-8H2,1-3H3
InChIKeyPZDOPIREQGZNMX-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane (CID 103277781) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane is CC1=CC(C)CC(C2NC(C)CCS2)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane?
The InChIKey is PZDOPIREQGZNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-9-6-10(2)8-12(7-9)13-14-11(3)4-5-15-13/h6,9,11-14H,4-5,7-8H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane?
2-(3,5-dimethylcyclohex-3-en-1-yl)-4-methyl-1,3-thiazinane 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-methyl-1,3-thiazinane is sourced from PubChem (CID 103277781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).