2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide

C12H20N4O3S — CID 61436120

IUPAC2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C12H20N4O3S/c1-16(9-10-5-2-3-8-19-10)20(17,18)11-6-4-7-14-12(11)15-13/h4,6-7,10H,2-3,5,8-9,13H2,1H3,(H,14,15)
InChIKeyVWIUTGVEJGCNLW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.56
Rot. Bonds5

About 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide

2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 61436120) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID61436120
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCN(CC1CCCCO1)S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C12H20N4O3S/c1-16(9-10-5-2-3-8-19-10)20(17,18)11-6-4-7-14-12(11)15-13/h4,6-7,10H,2-3,5,8-9,13H2,1H3,(H,14,15)
InChIKeyVWIUTGVEJGCNLW-UHFFFAOYSA-N
XLogP0.56
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 61436014
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594076
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
2-hydrazinyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 79319040
2-cyano-N-methyl-N-[[(2R)-oxan-2-yl]methyl]benzenesulfonamide
CID 94195591
N-methyl-N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103305237
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
CID 63209352
N-[3-(dimethylamino)propyl]-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 63700254
3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105387899
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide (CID 61436120) is 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide is CN(CC1CCCCO1)S(=O)(=O)c1cccnc1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is VWIUTGVEJGCNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-16(9-10-5-2-3-8-19-10)20(17,18)11-6-4-7-14-12(11)15-13/h4,6-7,10H,2-3,5,8-9,13H2,1H3,(H,14,15).
What are the key properties of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide?
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61436120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).