[2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate

C11H18N2O3S — CID 87143000

IUPAC[2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)ONNCC(C)C)cc1
InChIInChI=1S/C11H18N2O3S/c1-9(2)8-12-13-16-17(14,15)11-6-4-10(3)5-7-11/h4-7,9,12-13H,8H2,1-3H3
InChIKeyWMBRCSMKDFWTOR-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.37
Rot. Bonds6

About [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate

[2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate (PubChem CID 87143000) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate.

Molecular Properties

Compound Name[2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate
PubChem CID87143000
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name[2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)ONNCC(C)C)cc1
InChIInChI=1S/C11H18N2O3S/c1-9(2)8-12-13-16-17(14,15)11-6-4-10(3)5-7-11/h4-7,9,12-13H,8H2,1-3H3
InChIKeyWMBRCSMKDFWTOR-UHFFFAOYSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylhydrazinyl) 4-methylbenzenesulfonate
CID 57039564
4-methylpentan-2-yl 4-methylbenzenesulfonate
CID 11021507
[(2S)-4-methylpentan-2-yl] 4-methylbenzenesulfonate
CID 126764418
(methoxyamino) 4-methylbenzenesulfonate
CID 175159749
sulfur monoxide;2-tritioethyl 4-methylbenzenesulfonate
CID 123878920
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
[2-methyl-3-[(4-methylphenyl)sulfonylamino]propyl] 4-methylbenzenesulfonate
CID 25158928
1-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 54380954
[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl] 4-methylbenzenesulfonate
CID 89415026
4-aminopentyl 4-methylbenzenesulfonate
CID 139903943
methyl 4-methylbenzenesulfonate;zinc
CID 174756808
ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 173100984

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate?
The IUPAC name of [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate (CID 87143000) is [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate.
What is the SMILES notation for [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate?
The canonical SMILES for [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)ONNCC(C)C)cc1.
What is the InChIKey of [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate?
The InChIKey is WMBRCSMKDFWTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9(2)8-12-13-16-17(14,15)11-6-4-10(3)5-7-11/h4-7,9,12-13H,8H2,1-3H3.
What are the key properties of [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate?
[2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate has a molecular weight of 258.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)hydrazinyl] 4-methylbenzenesulfonate is sourced from PubChem (CID 87143000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).