6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide

C11H18N4O4S — CID 54414369

IUPAC6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O4S/c1-3-5-6-14(4-2)20(18,19)9-7-10(15(16)17)11(12)13-8-9/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyVWIXEDAXYHNOLX-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.38
Rot. Bonds7

About 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide

6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide (PubChem CID 54414369) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide
PubChem CID54414369
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C11H18N4O4S/c1-3-5-6-14(4-2)20(18,19)9-7-10(15(16)17)11(12)13-8-9/h7-8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyVWIXEDAXYHNOLX-UHFFFAOYSA-N
XLogP1.38
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide (CID 54414369) is 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide is CCCCN(CC)S(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1.
What is the InChIKey of 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide?
The InChIKey is VWIXEDAXYHNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-3-5-6-14(4-2)20(18,19)9-7-10(15(16)17)11(12)13-8-9/h7-8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide?
6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide is sourced from PubChem (CID 54414369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).