2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile

C13H13N5O3S — CID 832953

IUPAC2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H13N5O3S/c14-9-12(10-15)17-16-11-1-3-13(4-2-11)22(19,20)18-5-7-21-8-6-18/h1-4,16H,5-8H2
InChIKeyLVODTDQQOSZBNM-UHFFFAOYSA-N
MW319.35 g/mol
LogP0.52
Rot. Bonds4

About 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile

2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 832953) has the molecular formula C13H13N5O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
PubChem CID832953
Molecular FormulaC13H13N5O3S
Molecular Weight319.35 g/mol
Exact Mass319.07
IUPAC Name2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C13H13N5O3S/c14-9-12(10-15)17-16-11-1-3-13(4-2-11)22(19,20)18-5-7-21-8-6-18/h1-4,16H,5-8H2
InChIKeyLVODTDQQOSZBNM-UHFFFAOYSA-N
XLogP0.52
TPSA118.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339338
diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate
CID 21236964
N,N'-bis(4-morpholin-4-ylsulfonylphenyl)decanediamide
CID 17080112
2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]indene-1,3-dione
CID 2349090
1-(4-cyanophenyl)-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55570525
1-methyl-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 17376071
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
1-[(E)-(4-cyanophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
CID 6902914
N'-(4-morpholin-4-ylsulfonylphenyl)-N-prop-2-enyloxamide
CID 3220629
(Z)-4-(4-morpholin-4-ylsulfonylanilino)-4-oxobut-2-enoic acid
CID 2144801
N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 832695

Frequently Asked Questions

What is the IUPAC name of 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile (CID 832953) is 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is LVODTDQQOSZBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S/c14-9-12(10-15)17-16-11-1-3-13(4-2-11)22(19,20)18-5-7-21-8-6-18/h1-4,16H,5-8H2.
What are the key properties of 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 319.35 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 832953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).