(2-tert-butylhydrazinyl) 4-methylbenzenesulfonate

C11H18N2O3S — CID 57039564

IUPAC(2-tert-butylhydrazinyl) 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)ONNC(C)(C)C)cc1
InChIInChI=1S/C11H18N2O3S/c1-9-5-7-10(8-6-9)17(14,15)16-13-12-11(2,3)4/h5-8,12-13H,1-4H3
InChIKeyLDRGMGWTVZLWOH-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.51
Rot. Bonds4

About (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate

(2-tert-butylhydrazinyl) 4-methylbenzenesulfonate (PubChem CID 57039564) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate.

Molecular Properties

Compound Name(2-tert-butylhydrazinyl) 4-methylbenzenesulfonate
PubChem CID57039564
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name(2-tert-butylhydrazinyl) 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)ONNC(C)(C)C)cc1
InChIInChI=1S/C11H18N2O3S/c1-9-5-7-10(8-6-9)17(14,15)16-13-12-11(2,3)4/h5-8,12-13H,1-4H3
InChIKeyLDRGMGWTVZLWOH-UHFFFAOYSA-N
XLogP1.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(methoxyamino) 4-methylbenzenesulfonate
CID 175159749
[2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate
CID 87143000
[ditert-butyl-[ditert-butyl-(4-methylphenyl)sulfonyloxysilyl]silyl] 4-methylbenzenesulfonate
CID 89440328
2,3-dimethylbutan-2-yl 4-methylbenzenesulfonate
CID 139843459
amino 4-methylbenzenesulfonate
CID 10965249
methyl 4-methylbenzenesulfonate;hydrofluoride
CID 158630886
methyl 4-methylbenzenesulfonate;phosphane
CID 87524862
methyl 4-methylbenzenesulfonate;zinc
CID 174756808
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
[2,2,4,4-tetramethyl-5-(4-methylphenyl)sulfonyloxypentyl] 4-methylbenzenesulfonate
CID 84820678
bis-(4-methylphenyl)sulfonyloxybismuthanyl 4-methylbenzenesulfonate
CID 140663364
methanidyl 4-methylbenzenesulfonate;rutherfordium
CID 169042179

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate?
The IUPAC name of (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate (CID 57039564) is (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate.
What is the SMILES notation for (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate?
The canonical SMILES for (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)ONNC(C)(C)C)cc1.
What is the InChIKey of (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate?
The InChIKey is LDRGMGWTVZLWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9-5-7-10(8-6-9)17(14,15)16-13-12-11(2,3)4/h5-8,12-13H,1-4H3.
What are the key properties of (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate?
(2-tert-butylhydrazinyl) 4-methylbenzenesulfonate has a molecular weight of 258.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylhydrazinyl) 4-methylbenzenesulfonate is sourced from PubChem (CID 57039564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).