N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide

C11H17N3O2S — CID 113414890

IUPACN-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
SMILESNC/C=C/CNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C11H17N3O2S/c12-6-1-2-7-14-17(15,16)10-5-11-3-8-13-9-4-11/h1-4,8-9,14H,5-7,10,12H2/b2-1+
InChIKeyVMQRXBSUYFQAMH-OWOJBTEDSA-N
MW255.34 g/mol
LogP0.06
Rot. Bonds7

About N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide

N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide (PubChem CID 113414890) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
PubChem CID113414890
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
SMILESNC/C=C/CNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C11H17N3O2S/c12-6-1-2-7-14-17(15,16)10-5-11-3-8-13-9-4-11/h1-4,8-9,14H,5-7,10,12H2/b2-1+
InChIKeyVMQRXBSUYFQAMH-OWOJBTEDSA-N
XLogP0.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60892089
N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-(4-amino-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089296
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-(3,3-difluoro-2-hydroxypropyl)-2-pyridin-4-ylethanesulfonamide
CID 113318779
N-(4-chloro-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089715
N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
CID 77036641
N-(1-aminopentan-2-yl)-2-pyridin-4-ylethanesulfonamide
CID 61133210
4-(2-ethylsulfonylethyl)pyridine
CID 59155282

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide (CID 113414890) is N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide is NC/C=C/CNS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide?
The InChIKey is VMQRXBSUYFQAMH-OWOJBTEDSA-N. The full InChI is InChI=1S/C11H17N3O2S/c12-6-1-2-7-14-17(15,16)10-5-11-3-8-13-9-4-11/h1-4,8-9,14H,5-7,10,12H2/b2-1+.
What are the key properties of N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide?
N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide has a molecular weight of 255.34 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 113414890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).