N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide

C9H13N5O2S — CID 61343078

IUPACN-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
SMILES[N-]=[N+]=NCCNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C9H13N5O2S/c10-14-12-6-7-13-17(15,16)8-4-9-3-1-2-5-11-9/h1-3,5,13H,4,6-8H2
InChIKeyFIJVYPLSPHEMBL-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.85
Rot. Bonds7

About N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide

N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 61343078) has the molecular formula C9H13N5O2S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID61343078
Molecular FormulaC9H13N5O2S
Molecular Weight255.30 g/mol
Exact Mass255.08
IUPAC NameN-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide
SMILES[N-]=[N+]=NCCNS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C9H13N5O2S/c10-14-12-6-7-13-17(15,16)8-4-9-3-1-2-5-11-9/h1-3,5,13H,4,6-8H2
InChIKeyFIJVYPLSPHEMBL-UHFFFAOYSA-N
XLogP0.85
TPSA107.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-(5-amino-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 106154324
N-(3-amino-2,2-dimethylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 115365959
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
CID 103844738
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-(2-bromo-4-methylpentyl)-2-pyridin-2-ylethanesulfonamide
CID 107158232
N-(2-chloro-3-methoxypropyl)-2-pyridin-2-ylethanesulfonamide
CID 65030639

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide (CID 61343078) is N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide is [N-]=[N+]=NCCNS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is FIJVYPLSPHEMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S/c10-14-12-6-7-13-17(15,16)8-4-9-3-1-2-5-11-9/h1-3,5,13H,4,6-8H2.
What are the key properties of N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide?
N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 255.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 61343078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).