(7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine

C14H17FN2O2S — CID 90024450

IUPAC(7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine
SMILESC[C@@]1(c2ccccc2F)CS(=O)(=O)C2(CCC2)C(N)=N1
InChIInChI=1S/C14H17FN2O2S/c1-13(10-5-2-3-6-11(10)15)9-20(18,19)14(7-4-8-14)12(16)17-13/h2-3,5-6H,4,7-9H2,1H3,(H2,16,17)/t13-/m0/s1
InChIKeyOPXOWTZGNLAWGH-ZDUSSCGKSA-N
MW296.37 g/mol
LogP1.75
Rot. Bonds1

About (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine

(7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine (PubChem CID 90024450) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine.

Molecular Properties

Compound Name(7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine
PubChem CID90024450
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name(7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine
SMILESC[C@@]1(c2ccccc2F)CS(=O)(=O)C2(CCC2)C(N)=N1
InChIInChI=1S/C14H17FN2O2S/c1-13(10-5-2-3-6-11(10)15)9-20(18,19)14(7-4-8-14)12(16)17-13/h2-3,5-6H,4,7-9H2,1H3,(H2,16,17)/t13-/m0/s1
InChIKeyOPXOWTZGNLAWGH-ZDUSSCGKSA-N
XLogP1.75
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine?
The IUPAC name of (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine (CID 90024450) is (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine.
What is the SMILES notation for (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine?
The canonical SMILES for (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine is C[C@@]1(c2ccccc2F)CS(=O)(=O)C2(CCC2)C(N)=N1.
What is the InChIKey of (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine?
The InChIKey is OPXOWTZGNLAWGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-13(10-5-2-3-6-11(10)15)9-20(18,19)14(7-4-8-14)12(16)17-13/h2-3,5-6H,4,7-9H2,1H3,(H2,16,17)/t13-/m0/s1.
What are the key properties of (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine?
(7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine has a molecular weight of 296.37 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine is sourced from PubChem (CID 90024450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).