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

C8H14N6O4S — CID 114175800

IUPAC2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H14N6O4S/c1-10-19(17,18)5-4-11-8-6(14(15)16)2-3-7(12-8)13-9/h2-3,10H,4-5,9H2,1H3,(H2,11,12,13)
InChIKeyUDWISGCIMUPBIH-UHFFFAOYSA-N
MW290.31 g/mol
LogP-0.76
Rot. Bonds7

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

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide (PubChem CID 114175800) has the molecular formula C8H14N6O4S and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
PubChem CID114175800
Molecular FormulaC8H14N6O4S
Molecular Weight290.31 g/mol
Exact Mass290.08
IUPAC Name2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H14N6O4S/c1-10-19(17,18)5-4-11-8-6(14(15)16)2-3-7(12-8)13-9/h2-3,10H,4-5,9H2,1H3,(H2,11,12,13)
InChIKeyUDWISGCIMUPBIH-UHFFFAOYSA-N
XLogP-0.76
TPSA152.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104
2-[[3-nitro-6-(propylamino)-2-pyridinyl]amino]ethanesulfonamide
CID 80788349
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
6-N-methyl-2-N-(3-methylsulfonylpropyl)-3-nitropyridine-2,6-diamine
CID 80811993
2-[(6-amino-3-nitro-2-pyridinyl)amino]-N-ethylethanesulfonamide
CID 106343419
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106341005
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
2-[[2-(ethylamino)-5-nitropyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343280

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide (CID 114175800) is 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide?
The InChIKey is UDWISGCIMUPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O4S/c1-10-19(17,18)5-4-11-8-6(14(15)16)2-3-7(12-8)13-9/h2-3,10H,4-5,9H2,1H3,(H2,11,12,13).
What are the key properties of 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide?
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide has a molecular weight of 290.31 g/mol, XLogP of -0.76, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 114175800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).