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

C9H15N3O2S — CID 60892089

IUPACN-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
SMILESNCCNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C9H15N3O2S/c10-4-7-12-15(13,14)8-3-9-1-5-11-6-2-9/h1-2,5-6,12H,3-4,7-8,10H2
InChIKeyGZNPXLJDOSZNSY-UHFFFAOYSA-N
MW229.31 g/mol
LogP-0.50
Rot. Bonds6

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

N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 60892089) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
PubChem CID60892089
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC NameN-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide
SMILESNCCNS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C9H15N3O2S/c10-4-7-12-15(13,14)8-3-9-1-5-11-6-2-9/h1-2,5-6,12H,3-4,7-8,10H2
InChIKeyGZNPXLJDOSZNSY-UHFFFAOYSA-N
XLogP-0.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-2-pyridin-4-ylethanesulfonamide
CID 60890941
N-[(E)-4-aminobut-2-enyl]-2-pyridin-4-ylethanesulfonamide
CID 113414890
N-[2-(4-hydroxyphenyl)ethyl]-2-pyridin-4-ylethanesulfonamide
CID 61017540
N-(4-amino-2-methylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 66089296
N'-hydroxy-5-(2-pyridin-4-ylethylsulfonylamino)pentanimidamide
CID 77036641
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
N-(2-ethylbutyl)-2-pyridin-4-ylethanesulfonamide
CID 115613329
N-(5-hydroxy-4-methylpentyl)-2-pyridin-4-ylethanesulfonamide
CID 103858835
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-(2-aminoethyl)-2-thiophen-2-ylethanesulfonamide;hydrochloride
CID 120874392

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide (CID 60892089) is N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide is NCCNS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is GZNPXLJDOSZNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-4-7-12-15(13,14)8-3-9-1-5-11-6-2-9/h1-2,5-6,12H,3-4,7-8,10H2.
What are the key properties of N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide?
N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 229.31 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 60892089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).