2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide

C13H22N4O2S — CID 114130685

IUPAC2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2cccnc2NN)C1
InChIInChI=1S/C13H22N4O2S/c1-10-4-2-5-11(8-10)9-16-20(18,19)12-6-3-7-15-13(12)17-14/h3,6-7,10-11,16H,2,4-5,8-9,14H2,1H3,(H,15,17)
InChIKeyLFDVHHMNURDWPP-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.47
Rot. Bonds5

About 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide

2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide (PubChem CID 114130685) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide
PubChem CID114130685
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide
SMILESCC1CCCC(CNS(=O)(=O)c2cccnc2NN)C1
InChIInChI=1S/C13H22N4O2S/c1-10-4-2-5-11(8-10)9-16-20(18,19)12-6-3-7-15-13(12)17-14/h3,6-7,10-11,16H,2,4-5,8-9,14H2,1H3,(H,15,17)
InChIKeyLFDVHHMNURDWPP-UHFFFAOYSA-N
XLogP1.47
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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-hydrazinyl-N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 43456995
2-amino-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107411108
2-chloro-N-[(3-methylcyclopentyl)methyl]pyridine-3-sulfonamide
CID 107412513
2-amino-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 104859207
N-(cyclopentylmethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62145518
2-hydrazinyl-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80585516
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 62145695
N-(2,6-dimethylpiperidin-1-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 83026749
[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-2-pyridinyl]hydrazine
CID 93051505
4-(aminomethyl)-2-bromo-N-[(3-methylcyclohexyl)methyl]benzenesulfonamide
CID 106090828
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylpyridine-3-sulfonamide
CID 106340166
6-hydrazinyl-N-[(3-methylcyclohexyl)methyl]-5-propylpyrimidin-4-amine
CID 114130795

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide (CID 114130685) is 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide is CC1CCCC(CNS(=O)(=O)c2cccnc2NN)C1.
What is the InChIKey of 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
The InChIKey is LFDVHHMNURDWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10-4-2-5-11(8-10)9-16-20(18,19)12-6-3-7-15-13(12)17-14/h3,6-7,10-11,16H,2,4-5,8-9,14H2,1H3,(H,15,17).
What are the key properties of 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide?
2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[(3-methylcyclohexyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114130685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).