(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C12H16FNOS — CID 131748352

IUPAC(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@@](=O)C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1-4H3/t16-/m0/s1
InChIKeyUKYGYPDVTBBDFJ-INIZCTEOSA-N
MW241.33 g/mol
LogP3.10
Rot. Bonds2

About (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide

(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 131748352) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID131748352
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=N[S@@](=O)C(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1-4H3/t16-/m0/s1
InChIKeyUKYGYPDVTBBDFJ-INIZCTEOSA-N
XLogP3.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NE,R)-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethylidene]propane-2-sulfinamide
CID 138750553
(NE,S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 11492289
(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 129382914
(NE,R)-N-[1-[3-(1,1-difluoro-2-hydroxyethyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 153283559
(NE,S)-2-methyl-N-[1-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
CID 51063977
(NE,R)-N-[1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethylidene]-2-methylpropane-2-sulfinamide
CID 178138527
(NZ,R)-N-[1-(2,3-difluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 90373303
N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 142732732
(NE,S)-N-[1-(3,5-dichlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118110610
(R)-N-[1-(3-amino-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 152664377
(R)-N-[1-(2-chloro-3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86732268
(NE,S)-N-(1-dibenzofuran-2-ylethylidene)-2-methylpropane-2-sulfinamide
CID 170789345

Frequently Asked Questions

What is the IUPAC name of (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 131748352) is (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=N[S@@](=O)C(C)(C)C)c1cccc(F)c1.
What is the InChIKey of (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is UKYGYPDVTBBDFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C12H16FNOS/c1-9(14-16(15)12(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1-4H3/t16-/m0/s1.
What are the key properties of (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 241.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 131748352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).