(8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine

C15H18BrFN2O2S — CID 86715771

IUPAC(8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1
InChIInChI=1S/C15H18BrFN2O2S/c1-14(11-8-10(16)4-5-12(11)17)9-22(20,21)15(13(18)19-14)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H2,18,19)/t14-/m0/s1
InChIKeyMGIAHZQTXAWEJX-AWEZNQCLSA-N
MW389.29 g/mol
LogP2.90
Rot. Bonds1

About (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine

(8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine (PubChem CID 86715771) has the molecular formula C15H18BrFN2O2S and a molecular weight of 389.29 g/mol. Its IUPAC name is (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine.

Molecular Properties

Compound Name(8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine
PubChem CID86715771
Molecular FormulaC15H18BrFN2O2S
Molecular Weight389.29 g/mol
Exact Mass388.03
IUPAC Name(8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1
InChIInChI=1S/C15H18BrFN2O2S/c1-14(11-8-10(16)4-5-12(11)17)9-22(20,21)15(13(18)19-14)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H2,18,19)/t14-/m0/s1
InChIKeyMGIAHZQTXAWEJX-AWEZNQCLSA-N
XLogP2.90
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US9499502, Table A: Entry 87
CID 89095244
(3R,6S)-6-(3-bromophenyl)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095400
(7R)-9-amino-7-(5-bromo-2-fluorophenyl)-7-methyl-5,5-dioxo-5lambda6-thia-8-azaspiro[3.5]non-8-en-2-ol
CID 86715819
(R)-7-(5-bromo-2-fluoro-phenyl)-7-methyl-5,5-dioxo-5lambda6-thia-8-aza-spiro[3.5]non-8-en-9-ylamine
CID 86715829
US9499502, Table A: Entry 11
CID 89095185
(3R,6R)-6-[(3-bromophenyl)methyl]-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095404
(3R,6R)-6-(3-bromophenyl)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095407
(3R,6S)-6-[(3-bromophenyl)methyl]-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 89095409
US9499502, Table A: Entry 14
CID 89095533
(7S)-7-(5-bromo-2-fluorophenyl)-7-(fluoromethyl)-5,5-dioxo-5lambda6-thia-8-azaspiro[3.5]non-8-en-9-amine
CID 117869692
(7R)-7-(5-bromo-2-fluorophenyl)-2-fluoro-7-methyl-5,5-dioxo-5lambda6-thia-8-azaspiro[3.5]non-8-en-9-amine
CID 117869730
(2S,5R)-5-ethylsulfonyl-2-(fluoromethyl)-2-(2-fluorophenyl)-5-methyl-3,4-dihydropyridin-6-amine
CID 159467217

Frequently Asked Questions

What is the IUPAC name of (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine?
The IUPAC name of (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine (CID 86715771) is (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine.
What is the SMILES notation for (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine?
The canonical SMILES for (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine is C[C@@]1(c2cc(Br)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1.
What is the InChIKey of (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine?
The InChIKey is MGIAHZQTXAWEJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18BrFN2O2S/c1-14(11-8-10(16)4-5-12(11)17)9-22(20,21)15(13(18)19-14)6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3,(H2,18,19)/t14-/m0/s1.
What are the key properties of (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine?
(8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine has a molecular weight of 389.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(5-bromo-2-fluorophenyl)-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-10-amine is sourced from PubChem (CID 86715771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).