N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide

C12H20N4O2S — CID 107399525

IUPACN-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cnccc1NN
InChIInChI=1S/C12H20N4O2S/c1-2-16(9-10-4-3-5-10)19(17,18)12-8-14-7-6-11(12)15-13/h6-8,10H,2-5,9,13H2,1H3,(H,14,15)
InChIKeyIVAVTSWPABPBOF-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.18
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide

N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide (PubChem CID 107399525) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide
PubChem CID107399525
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1cnccc1NN
InChIInChI=1S/C12H20N4O2S/c1-2-16(9-10-4-3-5-10)19(17,18)12-8-14-7-6-11(12)15-13/h6-8,10H,2-5,9,13H2,1H3,(H,14,15)
InChIKeyIVAVTSWPABPBOF-UHFFFAOYSA-N
XLogP1.18
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(cyclobutylmethyl)-N-ethyl-4-(methylamino)pyridine-3-sulfonamide
CID 107401260
N-(cyclobutylmethyl)-N-ethyl-4-(propylamino)pyridine-3-sulfonamide
CID 107401225
N-(cyclobutylmethyl)-N-ethyl-3-hydrazinylpyridine-4-carboxamide
CID 107401447
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
4-hydrazinyl-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-sulfonamide
CID 104552469
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
3-[cyclobutylmethyl(ethyl)sulfamoyl]pyridine-2-carbothioamide
CID 107398793
4-hydrazinyl-N-methyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 106936229
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)pyridine-3-sulfonamide
CID 64520844
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
CID 63955641
N-(cyclobutylmethyl)-N-ethyl-2-fluorobenzenesulfonamide
CID 107398325
6-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398335

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide (CID 107399525) is N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide is CCN(CC1CCC1)S(=O)(=O)c1cnccc1NN.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide?
The InChIKey is IVAVTSWPABPBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-16(9-10-4-3-5-10)19(17,18)12-8-14-7-6-11(12)15-13/h6-8,10H,2-5,9,13H2,1H3,(H,14,15).
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide?
N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-4-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 107399525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).