2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine

C10H19NS — CID 15273221

IUPAC2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine
SMILESCC1(C)C=NC(C(C)(C)C)SC1
InChIInChI=1S/C10H19NS/c1-9(2,3)8-11-6-10(4,5)7-12-8/h6,8H,7H2,1-5H3
InChIKeyJZKCDTDAWUBEIM-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.20
Rot. Bonds

About 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine

2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine (PubChem CID 15273221) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine.

Molecular Properties

Compound Name2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine
PubChem CID15273221
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine
SMILESCC1(C)C=NC(C(C)(C)C)SC1
InChIInChI=1S/C10H19NS/c1-9(2,3)8-11-6-10(4,5)7-12-8/h6,8H,7H2,1-5H3
InChIKeyJZKCDTDAWUBEIM-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine?
The IUPAC name of 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine (CID 15273221) is 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine.
What is the SMILES notation for 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine?
The canonical SMILES for 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine is CC1(C)C=NC(C(C)(C)C)SC1.
What is the InChIKey of 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine?
The InChIKey is JZKCDTDAWUBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-9(2,3)8-11-6-10(4,5)7-12-8/h6,8H,7H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine?
2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine has a molecular weight of 185.34 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-dimethyl-2,6-dihydro-1,3-thiazine is sourced from PubChem (CID 15273221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).