N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide

C13H22N4O2S — CID 63997168

IUPACN-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccnc(NN)c2)C(C)C1
InChIInChI=1S/C13H22N4O2S/c1-9-3-4-12(10(2)7-9)17-20(18,19)11-5-6-15-13(8-11)16-14/h5-6,8-10,12,17H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyGNMBBYGFTWHOEZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.47
Rot. Bonds4

About N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide

N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 63997168) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
PubChem CID63997168
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccnc(NN)c2)C(C)C1
InChIInChI=1S/C13H22N4O2S/c1-9-3-4-12(10(2)7-9)17-20(18,19)11-5-6-15-13(8-11)16-14/h5-6,8-10,12,17H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyGNMBBYGFTWHOEZ-UHFFFAOYSA-N
XLogP1.47
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.47
H-Bond Donors ≤ 53
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-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 114504913
N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003120
N-(2,4-dimethylcyclohexyl)-6-(methylamino)pyridine-3-sulfonamide
CID 63999604
2-(methylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-4-sulfonamide
CID 80720100
[4-(3-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61226431
N-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908
N-(2,4-dimethylcyclohexyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 63999798
[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 93429423
[4-(2,6-dimethylpiperidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 54895491
4-[(2,4-dimethylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63993923
N-(1-cyclohexylethyl)-2-hydrazinylpyridine-4-sulfonamide
CID 62405634
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide (CID 63997168) is N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide is CC1CCC(NS(=O)(=O)c2ccnc(NN)c2)C(C)C1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is GNMBBYGFTWHOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-3-4-12(10(2)7-9)17-20(18,19)11-5-6-15-13(8-11)16-14/h5-6,8-10,12,17H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 63997168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).