3-methyl-1,3-thiazinane

C5H11NS — CID 12634513

IUPAC3-methyl-1,3-thiazinane
SMILESCN1CCCSC1
InChIInChI=1S/C5H11NS/c1-6-3-2-4-7-5-6/h2-5H2,1H3
InChIKeyBGAFUAUIQARJGD-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.01
Rot. Bonds

About 3-methyl-1,3-thiazinane

3-methyl-1,3-thiazinane (PubChem CID 12634513) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 3-methyl-1,3-thiazinane.

Molecular Properties

Compound Name3-methyl-1,3-thiazinane
PubChem CID12634513
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name3-methyl-1,3-thiazinane
SMILESCN1CCCSC1
InChIInChI=1S/C5H11NS/c1-6-3-2-4-7-5-6/h2-5H2,1H3
InChIKeyBGAFUAUIQARJGD-UHFFFAOYSA-N
XLogP1.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-thiazinane?
The IUPAC name of 3-methyl-1,3-thiazinane (CID 12634513) is 3-methyl-1,3-thiazinane.
What is the SMILES notation for 3-methyl-1,3-thiazinane?
The canonical SMILES for 3-methyl-1,3-thiazinane is CN1CCCSC1.
What is the InChIKey of 3-methyl-1,3-thiazinane?
The InChIKey is BGAFUAUIQARJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-6-3-2-4-7-5-6/h2-5H2,1H3.
What are the key properties of 3-methyl-1,3-thiazinane?
3-methyl-1,3-thiazinane has a molecular weight of 117.22 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-thiazinane is sourced from PubChem (CID 12634513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).