4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

C11H13F2NO2S — CID 2806246

IUPAC4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C11H13F2NO2S/c12-10-2-1-9(11(13)7-10)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2
InChIKeyZQLAJUBCCYARBF-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.20
Rot. Bonds2

About 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 2806246) has the molecular formula C11H13F2NO2S and a molecular weight of 261.29 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID2806246
Molecular FormulaC11H13F2NO2S
Molecular Weight261.29 g/mol
Exact Mass261.06
IUPAC Name4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C11H13F2NO2S/c12-10-2-1-9(11(13)7-10)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2
InChIKeyZQLAJUBCCYARBF-UHFFFAOYSA-N
XLogP1.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide (CID 2806246) is 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ZQLAJUBCCYARBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2S/c12-10-2-1-9(11(13)7-10)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 261.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 2806246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).