N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide

C12H17N3O2S — CID 61124897

IUPACN-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H17N3O2S/c1-3-12(2,10-13)15-18(16,17)9-6-11-4-7-14-8-5-11/h4-5,7-8,15H,3,6,9H2,1-2H3
InChIKeyAZIYCVHCRWKNEB-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.24
Rot. Bonds6

About N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide

N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 61124897) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide
PubChem CID61124897
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H17N3O2S/c1-3-12(2,10-13)15-18(16,17)9-6-11-4-7-14-8-5-11/h4-5,7-8,15H,3,6,9H2,1-2H3
InChIKeyAZIYCVHCRWKNEB-UHFFFAOYSA-N
XLogP1.24
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-2-pyridin-4-ylethanesulfonamide
CID 113271109
N-[3-(hydroxymethyl)pentan-3-yl]-2-pyridin-4-ylethanesulfonamide
CID 62521426
2-ethyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 79806634
N-(2-cyanobutan-2-yl)-1-phenylmethanesulfonamide
CID 61123309
N-(2-cyanopropan-2-yl)-2-phenylethanesulfonamide
CID 79017328
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-(2-cyanobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102691103
N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 60891900
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide (CID 61124897) is N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide is CCC(C)(C#N)NS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is AZIYCVHCRWKNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-12(2,10-13)15-18(16,17)9-6-11-4-7-14-8-5-11/h4-5,7-8,15H,3,6,9H2,1-2H3.
What are the key properties of N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide?
N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 61124897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).