[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine

C7H14N4O2S — CID 105308338

IUPAC[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine
SMILESCn1ccnc1C(CS(C)(=O)=O)NN
InChIInChI=1S/C7H14N4O2S/c1-11-4-3-9-7(11)6(10-8)5-14(2,12)13/h3-4,6,10H,5,8H2,1-2H3
InChIKeyIYJCTKYAYJUYMD-UHFFFAOYSA-N
MW218.28 g/mol
LogP-1.03
Rot. Bonds4

About [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine

[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine (PubChem CID 105308338) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine
PubChem CID105308338
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC Name[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine
SMILESCn1ccnc1C(CS(C)(=O)=O)NN
InChIInChI=1S/C7H14N4O2S/c1-11-4-3-9-7(11)6(10-8)5-14(2,12)13/h3-4,6,10H,5,8H2,1-2H3
InChIKeyIYJCTKYAYJUYMD-UHFFFAOYSA-N
XLogP-1.03
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984867
1-(1-methylimidazol-2-yl)heptylhydrazine
CID 105258177
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
[4-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butyl]hydrazine
CID 105308328
[2-cyclohexyl-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258081
[1-(1-methylimidazol-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105258087
[2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105198301
[2-(4-tert-butylphenyl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258143
[1-(1-methylimidazol-2-yl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105258067
[1-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105258011
[1-(1-methylimidazol-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066330
N-ethyl-1-(1-ethylimidazol-2-yl)-2-methylsulfonylethanamine
CID 115622275

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine?
The IUPAC name of [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine (CID 105308338) is [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine.
What is the SMILES notation for [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine?
The canonical SMILES for [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine is Cn1ccnc1C(CS(C)(=O)=O)NN.
What is the InChIKey of [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine?
The InChIKey is IYJCTKYAYJUYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-11-4-3-9-7(11)6(10-8)5-14(2,12)13/h3-4,6,10H,5,8H2,1-2H3.
What are the key properties of [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine?
[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine has a molecular weight of 218.28 g/mol, XLogP of -1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine is sourced from PubChem (CID 105308338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).