(R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide

C17H23F6N3OS — CID 90372751

IUPAC(R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCN(C)/N=C(/CC(CF)(N[S@](=O)C(C)(C)C)c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C17H23F6N3OS/c1-15(2,3)28(27)25-16(10-18,11-7-6-8-12(19)14(11)20)9-13(17(21,22)23)24-26(4)5/h6-8,25H,9-10H2,1-5H3/b24-13-/t16?,28-/m1/s1
InChIKeyDOMAEUAPMZIXDO-LWGRPUPSSA-N
MW431.45 g/mol
LogP4.05
Rot. Bonds7

About (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 90372751) has the molecular formula C17H23F6N3OS and a molecular weight of 431.45 g/mol. Its IUPAC name is (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID90372751
Molecular FormulaC17H23F6N3OS
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name(R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCN(C)/N=C(/CC(CF)(N[S@](=O)C(C)(C)C)c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C17H23F6N3OS/c1-15(2,3)28(27)25-16(10-18,11-7-6-8-12(19)14(11)20)9-13(17(21,22)23)24-26(4)5/h6-8,25H,9-10H2,1-5H3/b24-13-/t16?,28-/m1/s1
InChIKeyDOMAEUAPMZIXDO-LWGRPUPSSA-N
XLogP4.05
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(R)-N-[(2S)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
CID 123571737
N-[(2R,4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
CID 90372747
(R)-N-[(4E)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide
CID 86732220
(R)-N-[(2S)-2-(2,3-difluorophenyl)-1-fluoro-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 118866341
(3S)-3-(tert-butylsulfinylamino)-4-fluoro-3-(2-fluorophenyl)butanoic acid
CID 126569884
(6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide
CID 140652095
N-[(2R,4S)-2-(2,3-difluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl]-2-methylpropane-2-sulfinamide
CID 90373007
(R)-N-[(2S)-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 123856021
ethyl (2S,3R)-3-(tert-butylsulfinylamino)-2-fluoro-3-(2-fluorophenyl)-2-methylbutanoate
CID 70815680
2-methyl-N-[1,3,3-trifluoro-2-(2-fluorophenyl)-4-oxobutan-2-yl]propane-2-sulfinamide
CID 121334358
(R)-N-[(2S)-2-(2,3-difluorophenyl)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 126569920
N-[2-(2,3-difluorophenyl)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-4-oxobutan-2-yl]-2-methylpropane-2-sulfinamide
CID 126569921

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide (CID 90372751) is (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide is CN(C)/N=C(/CC(CF)(N[S@](=O)C(C)(C)C)c1cccc(F)c1F)C(F)(F)F.
What is the InChIKey of (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is DOMAEUAPMZIXDO-LWGRPUPSSA-N. The full InChI is InChI=1S/C17H23F6N3OS/c1-15(2,3)28(27)25-16(10-18,11-7-6-8-12(19)14(11)20)9-13(17(21,22)23)24-26(4)5/h6-8,25H,9-10H2,1-5H3/b24-13-/t16?,28-/m1/s1.
What are the key properties of (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 431.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4Z)-2-(2,3-difluorophenyl)-4-(dimethylhydrazinylidene)-1,5,5,5-tetrafluoropentan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 90372751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).