(8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine

C13H15FN4O4S — CID 118190065

IUPAC(8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine
SMILESCN1C(N)=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C2(CC2)S1(=O)=O
InChIInChI=1S/C13H15FN4O4S/c1-12(9-7-8(18(19)20)3-4-10(9)14)13(5-6-13)23(21,22)17(2)11(15)16-12/h3-4,7H,5-6H2,1-2H3,(H2,15,16)/t12-/m1/s1
InChIKeyHOQSMGNAWGDCKB-GFCCVEGCSA-N
MW342.35 g/mol
LogP1.07
Rot. Bonds2

About (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine

(8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine (PubChem CID 118190065) has the molecular formula C13H15FN4O4S and a molecular weight of 342.35 g/mol. Its IUPAC name is (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine.

Molecular Properties

Compound Name(8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine
PubChem CID118190065
Molecular FormulaC13H15FN4O4S
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC Name(8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine
SMILESCN1C(N)=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C2(CC2)S1(=O)=O
InChIInChI=1S/C13H15FN4O4S/c1-12(9-7-8(18(19)20)3-4-10(9)14)13(5-6-13)23(21,22)17(2)11(15)16-12/h3-4,7H,5-6H2,1-2H3,(H2,15,16)/t12-/m1/s1
InChIKeyHOQSMGNAWGDCKB-GFCCVEGCSA-N
XLogP1.07
TPSA118.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine?
The IUPAC name of (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine (CID 118190065) is (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine.
What is the SMILES notation for (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine?
The canonical SMILES for (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine is CN1C(N)=N[C@](C)(c2cc([N+](=O)[O-])ccc2F)C2(CC2)S1(=O)=O.
What is the InChIKey of (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine?
The InChIKey is HOQSMGNAWGDCKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15FN4O4S/c1-12(9-7-8(18(19)20)3-4-10(9)14)13(5-6-13)23(21,22)17(2)11(15)16-12/h3-4,7H,5-6H2,1-2H3,(H2,15,16)/t12-/m1/s1.
What are the key properties of (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine?
(8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine has a molecular weight of 342.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2-fluoro-5-nitrophenyl)-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine is sourced from PubChem (CID 118190065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).