4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide

C8H14F3NO2S — CID 166955921

IUPAC4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCS(=O)(=O)C(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-6(2)12-3-4-15(13,14)7(5-12)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyKJSZLXILVMKNAQ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.06
Rot. Bonds1

About 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide

4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 166955921) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID166955921
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)N1CCS(=O)(=O)C(C(F)(F)F)C1
InChIInChI=1S/C8H14F3NO2S/c1-6(2)12-3-4-15(13,14)7(5-12)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyKJSZLXILVMKNAQ-UHFFFAOYSA-N
XLogP1.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide (CID 166955921) is 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is CC(C)N1CCS(=O)(=O)C(C(F)(F)F)C1.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is KJSZLXILVMKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-6(2)12-3-4-15(13,14)7(5-12)8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide?
4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 245.27 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(trifluoromethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 166955921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).