2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide

C12H19N5O3S — CID 104762785

IUPAC2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1c(NN)nc2ccccn12
InChIInChI=1S/C12H19N5O3S/c1-9(2)20-8-6-14-21(18,19)12-11(16-13)15-10-5-3-4-7-17(10)12/h3-5,7,9,14,16H,6,8,13H2,1-2H3
InChIKeyNBNCAJKJXCYHMU-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.32
Rot. Bonds7

About 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide

2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 104762785) has the molecular formula C12H19N5O3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID104762785
Molecular FormulaC12H19N5O3S
Molecular Weight313.38 g/mol
Exact Mass313.12
IUPAC Name2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1c(NN)nc2ccccn12
InChIInChI=1S/C12H19N5O3S/c1-9(2)20-8-6-14-21(18,19)12-11(16-13)15-10-5-3-4-7-17(10)12/h3-5,7,9,14,16H,6,8,13H2,1-2H3
InChIKeyNBNCAJKJXCYHMU-UHFFFAOYSA-N
XLogP0.32
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-(2-methoxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60814826
2-amino-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 104765403
2-[[2-(methylamino)imidazo[1,2-a]pyridin-3-yl]sulfonylamino]ethyl carbamate
CID 83206171
N-propyl-2-(propylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62150339
2-(methylamino)-N-propylimidazo[1,2-a]pyridine-3-sulfonamide
CID 62150171
N-(2,3-dimethylbutyl)-2-(methylamino)imidazo[1,2-a]pyridine-3-sulfonamide
CID 64583151
2-hydrazinyl-N-methyl-N-(3-methylbutan-2-yl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60813824
2-(ethylamino)-N-(2-methoxypropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 102700463
2-hydrazinyl-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 60812816
2-hydrazinyl-N-pyrimidin-5-ylimidazo[1,2-a]pyridine-3-sulfonamide
CID 107588983
2-amino-N-(3-methoxy-2-methylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 62156679
2-(methylamino)-N-(3-methylsulfanylpropyl)imidazo[1,2-a]pyridine-3-sulfonamide
CID 63961435

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide (CID 104762785) is 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide is CC(C)OCCNS(=O)(=O)c1c(NN)nc2ccccn12.
What is the InChIKey of 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is NBNCAJKJXCYHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3S/c1-9(2)20-8-6-14-21(18,19)12-11(16-13)15-10-5-3-4-7-17(10)12/h3-5,7,9,14,16H,6,8,13H2,1-2H3.
What are the key properties of 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide?
2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-propan-2-yloxyethyl)imidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 104762785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).