(NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide

C14H19NOS — CID 11311244

IUPAC(NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide
SMILESCC(/C=N/[S@](=O)C(C)(C)C)=C\c1ccccc1
InChIInChI=1S/C14H19NOS/c1-12(10-13-8-6-5-7-9-13)11-15-17(16)14(2,3)4/h5-11H,1-4H3/b12-10+,15-11+/t17-/m1/s1
InChIKeyDIXFFHTUZSUVFX-OIIRWVTBSA-N
MW249.38 g/mol
LogP3.62
Rot. Bonds3

About (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide

(NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide (PubChem CID 11311244) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name(NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide
PubChem CID11311244
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide
SMILESCC(/C=N/[S@](=O)C(C)(C)C)=C\c1ccccc1
InChIInChI=1S/C14H19NOS/c1-12(10-13-8-6-5-7-9-13)11-15-17(16)14(2,3)4/h5-11H,1-4H3/b12-10+,15-11+/t17-/m1/s1
InChIKeyDIXFFHTUZSUVFX-OIIRWVTBSA-N
XLogP3.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.62
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

2-(Benzylideneamino)ethanesulfonamide
CID 45483186
[N(E),S(S)]-N-phenylmethyleneperfluorobutanesulfinamide
CID 138395047
[N(E),S(S)]-N-(4-methylphenyl)methyleneperfluorobutanesulfinamide
CID 138395048
[N(E),S(S)]-N-(3-Fluorophenyl)methyleneperfluorobutanesulfinamide
CID 138395053
[N(E),S(S)]-N-(2-Fluorophenyl)methyleneperfluorobutanesulfinamide
CID 138395054
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(4-methylphenyl)methylidene]butane-1-sulfinamide
CID 125477219
(S)-N-benzylidene-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
CID 125477285
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(2-fluorophenyl)methylidene]butane-1-sulfinamide
CID 125477428
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide
CID 125477454
(NE,R)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]propane-2-sulfinamide
CID 11208178
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 17748530
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 68520932

Frequently Asked Questions

What is the IUPAC name of (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide?
The IUPAC name of (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide (CID 11311244) is (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide.
What is the SMILES notation for (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide?
The canonical SMILES for (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide is CC(/C=N/[S@](=O)C(C)(C)C)=C\c1ccccc1.
What is the InChIKey of (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide?
The InChIKey is DIXFFHTUZSUVFX-OIIRWVTBSA-N. The full InChI is InChI=1S/C14H19NOS/c1-12(10-13-8-6-5-7-9-13)11-15-17(16)14(2,3)4/h5-11H,1-4H3/b12-10+,15-11+/t17-/m1/s1.
What are the key properties of (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide?
(NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide has a molecular weight of 249.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,R)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enylidene]propane-2-sulfinamide is sourced from PubChem (CID 11311244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).