N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide

C13H16N2OS — CID 72956691

IUPACN-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2OS/c1-10(15-17(16)13(2,3)4)12-7-5-11(9-14)6-8-12/h5-8H,1-4H3
InChIKeyYDSUDEHHXAPEIX-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.83
Rot. Bonds2

About N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide

N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 72956691) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide
PubChem CID72956691
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(=NS(=O)C(C)(C)C)c1ccc(C#N)cc1
InChIInChI=1S/C13H16N2OS/c1-10(15-17(16)13(2,3)4)12-7-5-11(9-14)6-8-12/h5-8H,1-4H3
InChIKeyYDSUDEHHXAPEIX-UHFFFAOYSA-N
XLogP2.83
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-[1-(3-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 131748352
2-[1-(4-cyanophenyl)ethylideneamino]acetic acid
CID 123488145
[1-(4-cyanophenyl)-2-methyl-1-oxopropan-2-yl] acetate
CID 146010010
4-(2-hydroxy-2-methylpropanoyl)benzonitrile
CID 13026809
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
ethane;4-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]benzonitrile
CID 145492702
4-(5,5-dimethylhexanoyl)benzonitrile
CID 157255786
4-[(Z)-C-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]carbonimidoyl]benzonitrile
CID 54241340
4-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]benzonitrile
CID 46566994
(S)-N-[1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethylidene]-2-methylpropane-2-sulfinamide
CID 154505277
[(Z)-1-(4-cyanophenyl)ethylideneamino]thiourea
CID 23024449
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide (CID 72956691) is N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide is CC(=NS(=O)C(C)(C)C)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is YDSUDEHHXAPEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-10(15-17(16)13(2,3)4)12-7-5-11(9-14)6-8-12/h5-8H,1-4H3.
What are the key properties of N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide?
N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 248.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 72956691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).