(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine

C15H20FN3O2S2 — CID 146168529

IUPAC(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC[C@]1(c2cc(N)ccc2F)N=C(N)SCC12CCS(=O)(=O)CC2
InChIInChI=1S/C15H20FN3O2S2/c1-14(11-8-10(17)2-3-12(11)16)15(9-22-13(18)19-14)4-6-23(20,21)7-5-15/h2-3,8H,4-7,9,17H2,1H3,(H2,18,19)/t14-/m1/s1
InChIKeyUOVXGSUKMPTZBK-CQSZACIVSA-N
MW357.48 g/mol
LogP1.88
Rot. Bonds1

About (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine

(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine (PubChem CID 146168529) has the molecular formula C15H20FN3O2S2 and a molecular weight of 357.48 g/mol. Its IUPAC name is (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine.

Molecular Properties

Compound Name(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine
PubChem CID146168529
Molecular FormulaC15H20FN3O2S2
Molecular Weight357.48 g/mol
Exact Mass357.10
IUPAC Name(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine
SMILESC[C@]1(c2cc(N)ccc2F)N=C(N)SCC12CCS(=O)(=O)CC2
InChIInChI=1S/C15H20FN3O2S2/c1-14(11-8-10(17)2-3-12(11)16)15(9-22-13(18)19-14)4-6-23(20,21)7-5-15/h2-3,8H,4-7,9,17H2,1H3,(H2,18,19)/t14-/m1/s1
InChIKeyUOVXGSUKMPTZBK-CQSZACIVSA-N
XLogP1.88
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
The IUPAC name of (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine (CID 146168529) is (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine.
What is the SMILES notation for (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
The canonical SMILES for (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine is C[C@]1(c2cc(N)ccc2F)N=C(N)SCC12CCS(=O)(=O)CC2.
What is the InChIKey of (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
The InChIKey is UOVXGSUKMPTZBK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20FN3O2S2/c1-14(11-8-10(17)2-3-12(11)16)15(9-22-13(18)19-14)4-6-23(20,21)7-5-15/h2-3,8H,4-7,9,17H2,1H3,(H2,18,19)/t14-/m1/s1.
What are the key properties of (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine?
(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine has a molecular weight of 357.48 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-amino-2-fluorophenyl)-5-methyl-9,9-dioxo-2,9λ6-dithia-4-azaspiro[5.5]undec-3-en-3-amine is sourced from PubChem (CID 146168529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).