6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide

C12H22N4O3S — CID 106012409

IUPAC6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C12H22N4O3S/c1-10(2)19-8-4-3-7-15-20(17,18)11-5-6-12(16-13)14-9-11/h5-6,9-10,15H,3-4,7-8,13H2,1-2H3,(H,14,16)
InChIKeyZJBHHHPTMOFQNK-UHFFFAOYSA-N
MW302.40 g/mol
LogP0.85
Rot. Bonds9

About 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide

6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide (PubChem CID 106012409) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide
PubChem CID106012409
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC Name6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide
SMILESCC(C)OCCCCNS(=O)(=O)c1ccc(NN)nc1
InChIInChI=1S/C12H22N4O3S/c1-10(2)19-8-4-3-7-15-20(17,18)11-5-6-12(16-13)14-9-11/h5-6,9-10,15H,3-4,7-8,13H2,1-2H3,(H,14,16)
InChIKeyZJBHHHPTMOFQNK-UHFFFAOYSA-N
XLogP0.85
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 63003893
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyrimidine-5-sulfonamide
CID 106014818
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
4-fluoro-3-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014466
3-(aminomethyl)-4-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106094494
N-(2-cyclohexyloxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 63829030
5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 5009141
4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006576
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide?
The IUPAC name of 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide (CID 106012409) is 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide is CC(C)OCCCCNS(=O)(=O)c1ccc(NN)nc1.
What is the InChIKey of 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide?
The InChIKey is ZJBHHHPTMOFQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c1-10(2)19-8-4-3-7-15-20(17,18)11-5-6-12(16-13)14-9-11/h5-6,9-10,15H,3-4,7-8,13H2,1-2H3,(H,14,16).
What are the key properties of 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide?
6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 0.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyridine-3-sulfonamide is sourced from PubChem (CID 106012409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).