2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide

C5H9F2NO2S — CID 84660002

IUPAC2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNCC1C(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)4-3-8-1-2-11(4,9)10/h4-5,8H,1-3H2
InChIKeyMARIYRZMGLLUIS-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.36
Rot. Bonds1

About 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide

2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 84660002) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID84660002
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNCC1C(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)4-3-8-1-2-11(4,9)10/h4-5,8H,1-3H2
InChIKeyMARIYRZMGLLUIS-UHFFFAOYSA-N
XLogP-0.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide (CID 84660002) is 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNCC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is MARIYRZMGLLUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-5(7)4-3-8-1-2-11(4,9)10/h4-5,8H,1-3H2.
What are the key properties of 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide?
2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 185.19 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 84660002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).