3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide

C11H14FNO2S — CID 66217456

IUPAC3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2cccc(F)c2)N1
InChIInChI=1S/C11H14FNO2S/c1-8-6-16(14,15)7-11(13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyOXNULQOVQDULGM-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds1

About 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide

3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 66217456) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID66217456
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CC(c2cccc(F)c2)N1
InChIInChI=1S/C11H14FNO2S/c1-8-6-16(14,15)7-11(13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3
InChIKeyOXNULQOVQDULGM-UHFFFAOYSA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide (CID 66217456) is 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CC(c2cccc(F)c2)N1.
What is the InChIKey of 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is OXNULQOVQDULGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-8-6-16(14,15)7-11(13-8)9-3-2-4-10(12)5-9/h2-5,8,11,13H,6-7H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide?
3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 243.30 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 66217456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).