N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide

C12H17N3O2S — CID 63296937

IUPACN-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
SMILESN#CCCCCNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H17N3O2S/c13-8-3-1-4-10-15-18(16,17)11-7-12-6-2-5-9-14-12/h2,5-6,9,15H,1,3-4,7,10-11H2
InChIKeyMNAFMZPDJFGFOE-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.24
Rot. Bonds8

About N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide

N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 63296937) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID63296937
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
SMILESN#CCCCCNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C12H17N3O2S/c13-8-3-1-4-10-15-18(16,17)11-7-12-6-2-5-9-14-12/h2,5-6,9,15H,1,3-4,7,10-11H2
InChIKeyMNAFMZPDJFGFOE-UHFFFAOYSA-N
XLogP1.24
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
CID 61343078
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-[(3-cyanophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 47956780
methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
CID 61460319
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-(1-cyanocyclopentyl)-2-pyridin-2-ylethanesulfonamide
CID 61123473
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide (CID 63296937) is N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide is N#CCCCCNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is MNAFMZPDJFGFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c13-8-3-1-4-10-15-18(16,17)11-7-12-6-2-5-9-14-12/h2,5-6,9,15H,1,3-4,7,10-11H2.
What are the key properties of N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide?
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 63296937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).