8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide

C10H10FNO2S — CID 115096858

IUPAC8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)c2c(F)cccc2NCC12CC2
InChIInChI=1S/C10H10FNO2S/c11-7-2-1-3-8-9(7)15(13,14)10(4-5-10)6-12-8/h1-3,12H,4-6H2
InChIKeyVYIBVACLVIYIJR-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.56
Rot. Bonds

About 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide

8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide (PubChem CID 115096858) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide.

Molecular Properties

Compound Name8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
PubChem CID115096858
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide
SMILESO=S1(=O)c2c(F)cccc2NCC12CC2
InChIInChI=1S/C10H10FNO2S/c11-7-2-1-3-8-9(7)15(13,14)10(4-5-10)6-12-8/h1-3,12H,4-6H2
InChIKeyVYIBVACLVIYIJR-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The IUPAC name of 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide (CID 115096858) is 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide.
What is the SMILES notation for 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The canonical SMILES for 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide is O=S1(=O)c2c(F)cccc2NCC12CC2.
What is the InChIKey of 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
The InChIKey is VYIBVACLVIYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-7-2-1-3-8-9(7)15(13,14)10(4-5-10)6-12-8/h1-3,12H,4-6H2.
What are the key properties of 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide?
8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide has a molecular weight of 227.26 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorospiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclopropane] 1,1-dioxide is sourced from PubChem (CID 115096858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).