6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide

C9H15N5O4S — CID 82222955

IUPAC6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C9H15N5O4S/c1-13(2)4-3-12-19(17,18)7-5-8(14(15)16)9(10)11-6-7/h5-6,12H,3-4H2,1-2H3,(H2,10,11)
InChIKeyYSAMOIHJXZHIKH-UHFFFAOYSA-N
MW289.32 g/mol
LogP-0.59
Rot. Bonds6

About 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide

6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide (PubChem CID 82222955) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide
PubChem CID82222955
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Name6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide
SMILESCN(C)CCNS(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1
InChIInChI=1S/C9H15N5O4S/c1-13(2)4-3-12-19(17,18)7-5-8(14(15)16)9(10)11-6-7/h5-6,12H,3-4H2,1-2H3,(H2,10,11)
InChIKeyYSAMOIHJXZHIKH-UHFFFAOYSA-N
XLogP-0.59
TPSA131.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
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'}

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Related Compounds

4-amino-N-[2-(dimethylamino)ethyl]-3-nitrobenzenesulfonamide
CID 43244697
6-amino-N-(2,2-dimethoxyethyl)-5-nitropyridine-3-sulfonamide
CID 94963662
N-[2-(dimethylamino)ethyl]-4-hydrazinyl-3-nitrobenzenesulfonamide
CID 43142198
2-amino-N-[2-(dimethylamino)ethyl]pyrimidine-5-sulfonamide
CID 62149164
5-amino-N-[2-(dimethylamino)ethyl]-4-nitrothiophene-2-sulfonamide
CID 80746787
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
6-amino-N-butyl-N-ethyl-5-nitropyridine-3-sulfonamide
CID 54414369
N-[2-(dimethylamino)ethyl]-4-(4-methylanilino)-3-nitrobenzenesulfonamide
CID 9187411
N-[2-(dimethylamino)ethyl]-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-nitrobenzenesulfonamide
CID 55370415
N-[2-(dimethylamino)ethyl]-4-[[2-(dimethylamino)-4-pyridinyl]methylamino]-3-nitrobenzenesulfonamide
CID 55638511
5-[2-(dimethylamino)ethylsulfamoyl]pyridine-2-carbothioamide
CID 114613962
3-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrobenzenesulfonamide
CID 82845821

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide (CID 82222955) is 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide is CN(C)CCNS(=O)(=O)c1cnc(N)c([N+](=O)[O-])c1.
What is the InChIKey of 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide?
The InChIKey is YSAMOIHJXZHIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c1-13(2)4-3-12-19(17,18)7-5-8(14(15)16)9(10)11-6-7/h5-6,12H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide?
6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide has a molecular weight of 289.32 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(dimethylamino)ethyl]-5-nitropyridine-3-sulfonamide is sourced from PubChem (CID 82222955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).