3-methyl-5-(trifluoromethyl)-1,3-thiazinane

C6H10F3NS — CID 145167748

IUPAC3-methyl-5-(trifluoromethyl)-1,3-thiazinane
SMILESCN1CSCC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NS/c1-10-2-5(3-11-4-10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyIOXUTGKGVJGCIF-UHFFFAOYSA-N
MW185.21 g/mol
LogP1.80
Rot. Bonds

About 3-methyl-5-(trifluoromethyl)-1,3-thiazinane

3-methyl-5-(trifluoromethyl)-1,3-thiazinane (PubChem CID 145167748) has the molecular formula C6H10F3NS and a molecular weight of 185.21 g/mol. Its IUPAC name is 3-methyl-5-(trifluoromethyl)-1,3-thiazinane.

Molecular Properties

Compound Name3-methyl-5-(trifluoromethyl)-1,3-thiazinane
PubChem CID145167748
Molecular FormulaC6H10F3NS
Molecular Weight185.21 g/mol
Exact Mass185.05
IUPAC Name3-methyl-5-(trifluoromethyl)-1,3-thiazinane
SMILESCN1CSCC(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NS/c1-10-2-5(3-11-4-10)6(7,8)9/h5H,2-4H2,1H3
InChIKeyIOXUTGKGVJGCIF-UHFFFAOYSA-N
XLogP1.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(trifluoromethyl)-1,3-thiazinane?
The IUPAC name of 3-methyl-5-(trifluoromethyl)-1,3-thiazinane (CID 145167748) is 3-methyl-5-(trifluoromethyl)-1,3-thiazinane.
What is the SMILES notation for 3-methyl-5-(trifluoromethyl)-1,3-thiazinane?
The canonical SMILES for 3-methyl-5-(trifluoromethyl)-1,3-thiazinane is CN1CSCC(C(F)(F)F)C1.
What is the InChIKey of 3-methyl-5-(trifluoromethyl)-1,3-thiazinane?
The InChIKey is IOXUTGKGVJGCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NS/c1-10-2-5(3-11-4-10)6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of 3-methyl-5-(trifluoromethyl)-1,3-thiazinane?
3-methyl-5-(trifluoromethyl)-1,3-thiazinane has a molecular weight of 185.21 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(trifluoromethyl)-1,3-thiazinane is sourced from PubChem (CID 145167748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).