3,6,6-trimethyl-1,3-thiazinane

C7H15NS — CID 148997562

IUPAC3,6,6-trimethyl-1,3-thiazinane
SMILESCN1CCC(C)(C)SC1
InChIInChI=1S/C7H15NS/c1-7(2)4-5-8(3)6-9-7/h4-6H2,1-3H3
InChIKeyPYZLQISUWBUERQ-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.79
Rot. Bonds

About 3,6,6-trimethyl-1,3-thiazinane

3,6,6-trimethyl-1,3-thiazinane (PubChem CID 148997562) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3,6,6-trimethyl-1,3-thiazinane.

Molecular Properties

Compound Name3,6,6-trimethyl-1,3-thiazinane
PubChem CID148997562
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3,6,6-trimethyl-1,3-thiazinane
SMILESCN1CCC(C)(C)SC1
InChIInChI=1S/C7H15NS/c1-7(2)4-5-8(3)6-9-7/h4-6H2,1-3H3
InChIKeyPYZLQISUWBUERQ-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-1,3-thiazinane?
The IUPAC name of 3,6,6-trimethyl-1,3-thiazinane (CID 148997562) is 3,6,6-trimethyl-1,3-thiazinane.
What is the SMILES notation for 3,6,6-trimethyl-1,3-thiazinane?
The canonical SMILES for 3,6,6-trimethyl-1,3-thiazinane is CN1CCC(C)(C)SC1.
What is the InChIKey of 3,6,6-trimethyl-1,3-thiazinane?
The InChIKey is PYZLQISUWBUERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)4-5-8(3)6-9-7/h4-6H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-1,3-thiazinane?
3,6,6-trimethyl-1,3-thiazinane has a molecular weight of 145.27 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-1,3-thiazinane is sourced from PubChem (CID 148997562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).