(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide

C12H14F3NO2S — CID 58570940

IUPAC(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2S/c1-11(2,3)19(17)16-8-9-4-6-10(7-5-9)18-12(13,14)15/h4-8H,1-3H3/b16-8+/t19-/m0/s1
InChIKeyPFDZZJOIVBWVRU-NXNKFBBFSA-N
MW293.31 g/mol
LogP3.47
Rot. Bonds3

About (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide

(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide (PubChem CID 58570940) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide
PubChem CID58570940
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)/N=C/c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2S/c1-11(2,3)19(17)16-8-9-4-6-10(7-5-9)18-12(13,14)15/h4-8H,1-3H3/b16-8+/t19-/m0/s1
InChIKeyPFDZZJOIVBWVRU-NXNKFBBFSA-N
XLogP3.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide with MolForge

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

Launch Full Analysis

Related Compounds

(NE)-N-[(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 11557754
(R)-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methylidene]propane-2-sulfinamide
CID 151898309
N-[(4-hydroxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 136614195
(NE,R)-2-methyl-N-[(4-pyrimidin-5-yloxyphenyl)methylidene]propane-2-sulfinamide
CID 89479374
(NE,R)-2-methyl-N-[(4-propan-2-ylphenyl)methylidene]propane-2-sulfinamide
CID 155662872
(NE,S)-2-methyl-N-[(4-pyridin-3-yloxyphenyl)methylidene]propane-2-sulfinamide
CID 163337745
(NE,R)-2-methyl-N-[(4-nitrophenyl)methylidene]propane-2-sulfinamide
CID 11207533
2-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
CID 66661359
(R)-N-[(3,4-dichlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 67122775
(R)-N-[(4-chloro-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71033001
(R)-N-[(3-chloro-4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 98010149
N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine
CID 155686082

Frequently Asked Questions

What is the IUPAC name of (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide?
The IUPAC name of (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide (CID 58570940) is (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide is CC(C)(C)[S@](=O)/N=C/c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide?
The InChIKey is PFDZZJOIVBWVRU-NXNKFBBFSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-11(2,3)19(17)16-8-9-4-6-10(7-5-9)18-12(13,14)15/h4-8H,1-3H3/b16-8+/t19-/m0/s1.
What are the key properties of (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide?
(NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide has a molecular weight of 293.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methylidene]propane-2-sulfinamide is sourced from PubChem (CID 58570940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).