N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide

C13H22N4O2S — CID 61003120

IUPACN-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccnc(NN)c2)C1C
InChIInChI=1S/C13H22N4O2S/c1-9-4-3-5-12(10(9)2)17-20(18,19)11-6-7-15-13(8-11)16-14/h6-10,12,17H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyAOMLYQRTHBGVOO-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.47
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide

N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 61003120) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
PubChem CID61003120
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccnc(NN)c2)C1C
InChIInChI=1S/C13H22N4O2S/c1-9-4-3-5-12(10(9)2)17-20(18,19)11-6-7-15-13(8-11)16-14/h6-10,12,17H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyAOMLYQRTHBGVOO-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

2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375
N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
CID 63997168
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 114504913
[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-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688
N-cyclobutyl-2-(methylamino)pyridine-4-sulfonamide
CID 62414070
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
3-(aminomethyl)-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 63288235
3-amino-N-(2,3-dimethylcyclohexyl)-5-methylbenzenesulfonamide
CID 43256183

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide (CID 61003120) is N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide is CC1CCCC(NS(=O)(=O)c2ccnc(NN)c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is AOMLYQRTHBGVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-9-4-3-5-12(10(9)2)17-20(18,19)11-6-7-15-13(8-11)16-14/h6-10,12,17H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide?
N-(2,3-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-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 61003120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).