2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine

C13H23NS — CID 144552425

IUPAC2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine
SMILESCCCC(C)(CC)C1=CN=CC(C)(C)S1
InChIInChI=1S/C13H23NS/c1-6-8-13(5,7-2)11-9-14-10-12(3,4)15-11/h9-10H,6-8H2,1-5H3
InChIKeyOLQLACKGJQFWJS-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.64
Rot. Bonds4

About 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine

2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine (PubChem CID 144552425) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine
PubChem CID144552425
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine
SMILESCCCC(C)(CC)C1=CN=CC(C)(C)S1
InChIInChI=1S/C13H23NS/c1-6-8-13(5,7-2)11-9-14-10-12(3,4)15-11/h9-10H,6-8H2,1-5H3
InChIKeyOLQLACKGJQFWJS-UHFFFAOYSA-N
XLogP4.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Ethyl-2-methyl-2-(2-methylpropyl)-1,4-thiazine
CID 91602588
2,2-Dimethyl-6-pentan-3-yl-1,4-thiazine
CID 123862947

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine?
The IUPAC name of 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine (CID 144552425) is 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine.
What is the SMILES notation for 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine?
The canonical SMILES for 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine is CCCC(C)(CC)C1=CN=CC(C)(C)S1.
What is the InChIKey of 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine?
The InChIKey is OLQLACKGJQFWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-6-8-13(5,7-2)11-9-14-10-12(3,4)15-11/h9-10H,6-8H2,1-5H3.
What are the key properties of 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine?
2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine has a molecular weight of 225.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-methylhexan-3-yl)-1,4-thiazine is sourced from PubChem (CID 144552425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).