N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide

C8H12N4O4S — CID 102675378

IUPACN-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H12N4O4S/c1-9-17(15,16)5-4-10-8-3-2-7(6-11-8)12(13)14/h2-3,6,9H,4-5H2,1H3,(H,10,11)
InChIKeyYFMOBLDMLWQNGS-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.05
Rot. Bonds6

About N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide

N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide (PubChem CID 102675378) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
PubChem CID102675378
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC NameN-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C8H12N4O4S/c1-9-17(15,16)5-4-10-8-3-2-7(6-11-8)12(13)14/h2-3,6,9H,4-5H2,1H3,(H,10,11)
InChIKeyYFMOBLDMLWQNGS-UHFFFAOYSA-N
XLogP-0.05
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
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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Related Compounds

3-Nitropyridin-2-ylamine
CID 77887
5-Nitro-N-phenylpyridin-2-amine
CID 81268
2-Amino-5-nitropyridine
CID 77888
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
N-methyl-5-nitropyridin-2-amine
CID 265883
N-Methyl-3-nitro-2-pyridinamine
CID 556349
N,N-dimethyl-N'-(5-nitropyridin-2-yl)benzene-1,4-diamine
CID 3146301
2-(2-Aminoethylamino)-5-nitropyridine
CID 122425
2-Cyclohexylamino-5-nitropyridine
CID 261538
1-(5-Nitropyridin-2-yl)piperazine
CID 2928799
N-(3-fluorophenyl)-5-nitropyridin-2-amine
CID 2848730
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide?
The IUPAC name of N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide (CID 102675378) is N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide.
What is the SMILES notation for N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide?
The canonical SMILES for N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide is CNS(=O)(=O)CCNc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide?
The InChIKey is YFMOBLDMLWQNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-9-17(15,16)5-4-10-8-3-2-7(6-11-8)12(13)14/h2-3,6,9H,4-5H2,1H3,(H,10,11).
What are the key properties of N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide?
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide has a molecular weight of 260.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide is sourced from PubChem (CID 102675378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).