2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide

C9H15N5O4S — CID 106343419

IUPAC2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O4S/c1-2-12-19(17,18)6-5-11-9-7(14(15)16)3-4-8(10)13-9/h3-4,12H,2,5-6H2,1H3,(H3,10,11,13)
InChIKeyJVNYTQARHUSKRO-UHFFFAOYSA-N
MW289.32 g/mol
LogP-0.08
Rot. Bonds7

About 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide

2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide (PubChem CID 106343419) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
PubChem CID106343419
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Name2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O4S/c1-2-12-19(17,18)6-5-11-9-7(14(15)16)3-4-8(10)13-9/h3-4,12H,2,5-6H2,1H3,(H3,10,11,13)
InChIKeyJVNYTQARHUSKRO-UHFFFAOYSA-N
XLogP-0.08
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.08
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-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide 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

3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80786425
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
2-N-(2-butoxyethyl)-3-nitropyridine-2,6-diamine
CID 80819270
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841
N-[2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 80787850
2-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106332163
3-[[(6-amino-3-nitro-2-pyridinyl)amino]methyl]pentan-3-ol
CID 80842997
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
2-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridine-2,6-diamine
CID 102908827
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 106424187
3-nitro-2-N-(3-phenylbutyl)pyridine-2,6-diamine
CID 80807970

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide (CID 106343419) is 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The InChIKey is JVNYTQARHUSKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c1-2-12-19(17,18)6-5-11-9-7(14(15)16)3-4-8(10)13-9/h3-4,12H,2,5-6H2,1H3,(H3,10,11,13).
What are the key properties of 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide?
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide has a molecular weight of 289.32 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106343419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).