6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine

C9H15N5O4S — CID 80929654

IUPAC6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O4S/c1-13(5-6-19(2,17)18)9-7(14(15)16)3-4-8(11-9)12-10/h3-4H,5-6,10H2,1-2H3,(H,11,12)
InChIKeyPYWANYGFJAHYNF-UHFFFAOYSA-N
MW289.32 g/mol
LogP-0.24
Rot. Bonds6

About 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine

6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine (PubChem CID 80929654) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
PubChem CID80929654
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Name6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
SMILESCN(CCS(C)(=O)=O)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H15N5O4S/c1-13(5-6-19(2,17)18)9-7(14(15)16)3-4-8(11-9)12-10/h3-4H,5-6,10H2,1-2H3,(H,11,12)
InChIKeyPYWANYGFJAHYNF-UHFFFAOYSA-N
XLogP-0.24
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
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)-methylamino]-N,N-dimethylacetamide
CID 80894166
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916699
N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-3-nitropyridin-2-amine
CID 80899980
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80902169
3-[methyl-[6-(methylamino)-3-nitro-2-pyridinyl]amino]propanenitrile
CID 80753426
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
6-hydrazinyl-N-methyl-3-nitro-N-(oxolan-3-yl)pyridin-2-amine
CID 82747704
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 80905959
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 114175800
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-methoxy-N-methyl-3-nitro-N-propylpyridin-2-amine
CID 58903907

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine (CID 80929654) is 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine is CN(CCS(C)(=O)=O)c1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine?
The InChIKey is PYWANYGFJAHYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c1-13(5-6-19(2,17)18)9-7(14(15)16)3-4-8(11-9)12-10/h3-4H,5-6,10H2,1-2H3,(H,11,12).
What are the key properties of 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine?
6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine has a molecular weight of 289.32 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 80929654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).