N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide

C12H17N3O3S — CID 63246213

IUPACN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C12H17N3O3S/c1-2-18-9-10-19(16,17)15-12-7-3-5-11(14-12)6-4-8-13/h3,5,7H,2,8-10,13H2,1H3,(H,14,15)
InChIKeyJLESSBNAGCKZTQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.17
Rot. Bonds6

About N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide (PubChem CID 63246213) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide
PubChem CID63246213
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cccc(C#CCN)n1
InChIInChI=1S/C12H17N3O3S/c1-2-18-9-10-19(16,17)15-12-7-3-5-11(14-12)6-4-8-13/h3,5,7H,2,8-10,13H2,1H3,(H,14,15)
InChIKeyJLESSBNAGCKZTQ-UHFFFAOYSA-N
XLogP0.17
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]propane-1-sulfonamide
CID 60814632
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbutane-1-sulfonamide
CID 63856620
ethyl 2-[[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]acetate
CID 61457398
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 60814463
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylsulfonylmethanesulfonamide
CID 82842780
ethyl N-[[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]sulfamoyl]carbamate
CID 114465630
N-[[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]methyl]-2-ethoxyethanesulfonamide
CID 63246262
N-(6-ethoxy-2-pyridinyl)propane-1-sulfonamide
CID 84596816
methyl 6-(3-aminoprop-1-ynyl)pyridine-2-carboxylate
CID 122241887
N-[2-(aminomethyl)-6-methoxyphenyl]-2-ethoxyethanesulfonamide
CID 107466325
N-(3-chloroquinoxalin-2-yl)-2-ethoxyethanesulfonamide
CID 102990310
3-[6-(2-methylpropylsulfamoylamino)-2-pyridinyl]prop-2-yn-1-ol
CID 114816389

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide?
The IUPAC name of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide (CID 63246213) is N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide?
The canonical SMILES for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1cccc(C#CCN)n1.
What is the InChIKey of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide?
The InChIKey is JLESSBNAGCKZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-18-9-10-19(16,17)15-12-7-3-5-11(14-12)6-4-8-13/h3,5,7H,2,8-10,13H2,1H3,(H,14,15).
What are the key properties of N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide?
N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-ethoxyethanesulfonamide is sourced from PubChem (CID 63246213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).