2-(2,2-dimethylpropyl)-4H-1,4-thiazine

C9H15NS — CID 129276619

IUPAC2-(2,2-dimethylpropyl)-4H-1,4-thiazine
SMILESCC(C)(C)CC1=CNC=CS1
InChIInChI=1S/C9H15NS/c1-9(2,3)6-8-7-10-4-5-11-8/h4-5,7,10H,6H2,1-3H3
InChIKeyDVOTUCIBDBPLJB-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.07
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4H-1,4-thiazine

2-(2,2-dimethylpropyl)-4H-1,4-thiazine (PubChem CID 129276619) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4H-1,4-thiazine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4H-1,4-thiazine
PubChem CID129276619
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-(2,2-dimethylpropyl)-4H-1,4-thiazine
SMILESCC(C)(C)CC1=CNC=CS1
InChIInChI=1S/C9H15NS/c1-9(2,3)6-8-7-10-4-5-11-8/h4-5,7,10H,6H2,1-3H3
InChIKeyDVOTUCIBDBPLJB-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4H-1,4-thiazine?
The IUPAC name of 2-(2,2-dimethylpropyl)-4H-1,4-thiazine (CID 129276619) is 2-(2,2-dimethylpropyl)-4H-1,4-thiazine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4H-1,4-thiazine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4H-1,4-thiazine is CC(C)(C)CC1=CNC=CS1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4H-1,4-thiazine?
The InChIKey is DVOTUCIBDBPLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-9(2,3)6-8-7-10-4-5-11-8/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4H-1,4-thiazine?
2-(2,2-dimethylpropyl)-4H-1,4-thiazine has a molecular weight of 169.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4H-1,4-thiazine is sourced from PubChem (CID 129276619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).