N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide

C13H22N4O2S — CID 62405456

IUPACN-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(NN)nc1)C1CCCCC1
InChIInChI=1S/C13H22N4O2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(16-14)15-9-12/h7-11,17H,2-6,14H2,1H3,(H,15,16)
InChIKeyDVSJYRCNVIKYEG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.61
Rot. Bonds5

About N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide

N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide (PubChem CID 62405456) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide
PubChem CID62405456
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(NN)nc1)C1CCCCC1
InChIInChI=1S/C13H22N4O2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(16-14)15-9-12/h7-11,17H,2-6,14H2,1H3,(H,15,16)
InChIKeyDVSJYRCNVIKYEG-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide?
The IUPAC name of N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide (CID 62405456) is N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide?
The canonical SMILES for N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(NN)nc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide?
The InChIKey is DVSJYRCNVIKYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-13(16-14)15-9-12/h7-11,17H,2-6,14H2,1H3,(H,15,16).
What are the key properties of N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide?
N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-6-hydrazinylpyridine-3-sulfonamide is sourced from PubChem (CID 62405456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).