2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile

C17H21N5O2S — CID 169340570

IUPAC2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
SMILESCC(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1NN=C(C#N)C#N
InChIInChI=1S/C17H21N5O2S/c1-13(2)25(23,24)17-7-6-15(22-8-4-3-5-9-22)10-16(17)21-20-14(11-18)12-19/h6-7,10,13,21H,3-5,8-9H2,1-2H3
InChIKeyRTSNTFZKUYQXMO-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.67
Rot. Bonds5

About 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile

2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169340570) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169340570
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile
SMILESCC(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1NN=C(C#N)C#N
InChIInChI=1S/C17H21N5O2S/c1-13(2)25(23,24)17-7-6-15(22-8-4-3-5-9-22)10-16(17)21-20-14(11-18)12-19/h6-7,10,13,21H,3-5,8-9H2,1-2H3
InChIKeyRTSNTFZKUYQXMO-UHFFFAOYSA-N
XLogP2.67
TPSA109.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.67
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

N-[5-(azepan-1-yl)-2-propan-2-ylsulfonylphenyl]-2-cyanoacetamide
CID 168522277
(1Z)-2-amino-2-imino-N-(2-methylsulfonyl-5-piperidin-1-ylanilino)ethanimidoyl cyanide
CID 172977456
2,2-dimethyl-5-[(5-piperidin-1-yl-2-propan-2-ylsulfonylanilino)methylidene]-1,3-dioxane-4,6-dione
CID 168539671
2-[[5-(3-methylpiperidin-1-yl)-2-propan-2-ylsulfonylanilino]methylidene]propanedinitrile
CID 168543366
N-(5-morpholin-4-yl-2-propan-2-ylsulfonylphenyl)formamide
CID 168652539
2-chloro-N'-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)ethanimidamide
CID 169368298
4-(azepan-1-yl)-3-[2-(dicyanomethylidene)hydrazinyl]benzoic acid
CID 169338216
2-[5-(azepan-1-yl)-2-propan-2-ylsulfonylphenyl]isoindole-1,3-dione
CID 168518036
2-[[2-methoxy-4-(4-methylpiperidin-1-yl)phenyl]hydrazinylidene]propanedinitrile
CID 169340815
methyl N-cyano-N'-[5-(4-methylpiperazin-1-yl)-2-propan-2-ylsulfonylphenyl]carbamimidothioate
CID 169362567
5-(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)furan-2-carbaldehyde
CID 169334804
1-(3-propan-2-ylsulfonylphenyl)pyrrolidine
CID 168514777

Frequently Asked Questions

What is the IUPAC name of 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile (CID 169340570) is 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile is CC(C)S(=O)(=O)c1ccc(N2CCCCC2)cc1NN=C(C#N)C#N.
What is the InChIKey of 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is RTSNTFZKUYQXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-13(2)25(23,24)17-7-6-15(22-8-4-3-5-9-22)10-16(17)21-20-14(11-18)12-19/h6-7,10,13,21H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile?
2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 359.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-piperidin-1-yl-2-propan-2-ylsulfonylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).