5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

C12H13FN2OS — CID 58316556

IUPAC5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3cccc(F)c32)CCS1
InChIInChI=1S/C12H13FN2OS/c13-8-2-1-3-9-10(8)12(4-6-16-9)5-7-17-11(14)15-12/h1-3H,4-7H2,(H2,14,15)
InChIKeyLNKDJJHEMXZHRW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.26
Rot. Bonds

About 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (PubChem CID 58316556) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.

Molecular Properties

Compound Name5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
PubChem CID58316556
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3cccc(F)c32)CCS1
InChIInChI=1S/C12H13FN2OS/c13-8-2-1-3-9-10(8)12(4-6-16-9)5-7-17-11(14)15-12/h1-3H,4-7H2,(H2,14,15)
InChIKeyLNKDJJHEMXZHRW-UHFFFAOYSA-N
XLogP2.26
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The IUPAC name of 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (CID 58316556) is 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.
What is the SMILES notation for 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The canonical SMILES for 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is NC1=NC2(CCOc3cccc(F)c32)CCS1.
What is the InChIKey of 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The InChIKey is LNKDJJHEMXZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c13-8-2-1-3-9-10(8)12(4-6-16-9)5-7-17-11(14)15-12/h1-3H,4-7H2,(H2,14,15).
What are the key properties of 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine has a molecular weight of 252.31 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is sourced from PubChem (CID 58316556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).