4-amino-N-pyridin-2-ylbutane-1-sulfonamide

C9H15N3O2S — CID 61456018

IUPAC4-amino-N-pyridin-2-ylbutane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1ccccn1
InChIInChI=1S/C9H15N3O2S/c10-6-2-4-8-15(13,14)12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,6,8,10H2,(H,11,12)
InChIKeyCXUWHWFOFQSQLH-UHFFFAOYSA-N
MW229.31 g/mol
LogP0.56
Rot. Bonds6

About 4-amino-N-pyridin-2-ylbutane-1-sulfonamide

4-amino-N-pyridin-2-ylbutane-1-sulfonamide (PubChem CID 61456018) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-amino-N-pyridin-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-pyridin-2-ylbutane-1-sulfonamide
PubChem CID61456018
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name4-amino-N-pyridin-2-ylbutane-1-sulfonamide
SMILESNCCCCS(=O)(=O)Nc1ccccn1
InChIInChI=1S/C9H15N3O2S/c10-6-2-4-8-15(13,14)12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,6,8,10H2,(H,11,12)
InChIKeyCXUWHWFOFQSQLH-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
CID 61456032
1-bromo-N-pyridin-2-ylmethanesulfonamide
CID 83085049
3-amino-N-(5-fluoro-2-pyridinyl)propane-1-sulfonamide
CID 65481850
3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
CID 103094092
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
6-amino-N-[4-(pyridin-2-ylsulfamoyl)phenyl]hexanamide
CID 134363098
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563
4-amino-N-(4-bromonaphthalen-1-yl)butane-1-sulfonamide
CID 106077343
1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
N'-pyridin-2-ylmethanediamine
CID 115225472
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pyridin-2-ylbutane-1-sulfonamide?
The IUPAC name of 4-amino-N-pyridin-2-ylbutane-1-sulfonamide (CID 61456018) is 4-amino-N-pyridin-2-ylbutane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-pyridin-2-ylbutane-1-sulfonamide?
The canonical SMILES for 4-amino-N-pyridin-2-ylbutane-1-sulfonamide is NCCCCS(=O)(=O)Nc1ccccn1.
What is the InChIKey of 4-amino-N-pyridin-2-ylbutane-1-sulfonamide?
The InChIKey is CXUWHWFOFQSQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c10-6-2-4-8-15(13,14)12-9-5-1-3-7-11-9/h1,3,5,7H,2,4,6,8,10H2,(H,11,12).
What are the key properties of 4-amino-N-pyridin-2-ylbutane-1-sulfonamide?
4-amino-N-pyridin-2-ylbutane-1-sulfonamide has a molecular weight of 229.31 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pyridin-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 61456018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).