7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

C11H14FNO2S — CID 84630796

IUPAC7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCC(C)C1CS(=O)(=O)c2cc(F)ccc2N1
InChIInChI=1S/C11H14FNO2S/c1-7(2)10-6-16(14,15)11-5-8(12)3-4-9(11)13-10/h3-5,7,10,13H,6H2,1-2H3
InChIKeyXVNXXNBYNFJWCU-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.05
Rot. Bonds1

About 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide

7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (PubChem CID 84630796) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.

Molecular Properties

Compound Name7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
PubChem CID84630796
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide
SMILESCC(C)C1CS(=O)(=O)c2cc(F)ccc2N1
InChIInChI=1S/C11H14FNO2S/c1-7(2)10-6-16(14,15)11-5-8(12)3-4-9(11)13-10/h3-5,7,10,13H,6H2,1-2H3
InChIKeyXVNXXNBYNFJWCU-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The IUPAC name of 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide (CID 84630796) is 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide.
What is the SMILES notation for 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The canonical SMILES for 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is CC(C)C1CS(=O)(=O)c2cc(F)ccc2N1.
What is the InChIKey of 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
The InChIKey is XVNXXNBYNFJWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-7(2)10-6-16(14,15)11-5-8(12)3-4-9(11)13-10/h3-5,7,10,13H,6H2,1-2H3.
What are the key properties of 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide?
7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide has a molecular weight of 243.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-propan-2-yl-3,4-dihydro-2H-1λ6,4-benzothiazine 1,1-dioxide is sourced from PubChem (CID 84630796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).