2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide

C10H17N5O4S — CID 80788349

IUPAC2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C10H17N5O4S/c1-2-5-12-9-4-3-8(15(16)17)10(14-9)13-6-7-20(11,18)19/h3-4H,2,5-7H2,1H3,(H2,11,18,19)(H2,12,13,14)
InChIKeyNCVODFBMUQSDNV-UHFFFAOYSA-N
MW303.34 g/mol
LogP0.51
Rot. Bonds8

About 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide

2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide (PubChem CID 80788349) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
PubChem CID80788349
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
SMILESCCCNc1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)n1
InChIInChI=1S/C10H17N5O4S/c1-2-5-12-9-4-3-8(15(16)17)10(14-9)13-6-7-20(11,18)19/h3-4H,2,5-7H2,1H3,(H2,11,18,19)(H2,12,13,14)
InChIKeyNCVODFBMUQSDNV-UHFFFAOYSA-N
XLogP0.51
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
2-N-(3-methylsulfonylpropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80790516
2-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80803530
5-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]pentanamide
CID 106241671
2-methyl-1-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propan-2-ol
CID 80841652
2-N-(3-ethoxypropyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771809
methyl 5-nitro-6-(2-sulfamoylethylamino)pyridine-2-carboxylate
CID 114403662
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
3-nitro-2-N-phenyl-6-N-propylpyridine-2,6-diamine
CID 80768548
2-methyl-2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819815
2-[3-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]propoxy]ethanol
CID 106311526
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850

Frequently Asked Questions

What is the IUPAC name of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide (CID 80788349) is 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide is CCCNc1ccc([N+](=O)[O-])c(NCCS(N)(=O)=O)n1.
What is the InChIKey of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
The InChIKey is NCVODFBMUQSDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c1-2-5-12-9-4-3-8(15(16)17)10(14-9)13-6-7-20(11,18)19/h3-4H,2,5-7H2,1H3,(H2,11,18,19)(H2,12,13,14).
What are the key properties of 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide?
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 0.51, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide is sourced from PubChem (CID 80788349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).