[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine

C8H16N4O2S — CID 114984867

IUPAC[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCn1ccnc1C(CCS(C)(=O)=O)NN
InChIInChI=1S/C8H16N4O2S/c1-12-5-4-10-8(12)7(11-9)3-6-15(2,13)14/h4-5,7,11H,3,6,9H2,1-2H3
InChIKeyOTSYFYPJNGCJOC-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.64
Rot. Bonds5

About [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine

[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114984867) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114984867
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCn1ccnc1C(CCS(C)(=O)=O)NN
InChIInChI=1S/C8H16N4O2S/c1-12-5-4-10-8(12)7(11-9)3-6-15(2,13)14/h4-5,7,11H,3,6,9H2,1-2H3
InChIKeyOTSYFYPJNGCJOC-UHFFFAOYSA-N
XLogP-0.64
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.64
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'}

Analyze [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1-methylimidazol-2-yl)-2-methylsulfonylethyl]hydrazine
CID 105308338
1-(1-methylimidazol-2-yl)heptylhydrazine
CID 105258177
(3-methylsulfonyl-1-pyrimidin-2-ylpropyl)hydrazine
CID 114984570
[3-(furan-2-yl)-1-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105308202
3-amino-1-(1-methylimidazol-2-yl)-5-methylsulfonylpentan-2-one
CID 116552034
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
[2-cyclohexyl-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105258081
[4-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butyl]hydrazine
CID 105308328
[2-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105198301
[1-(1-methylimidazol-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105258087
[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985127
[1-(1-methylimidazol-2-yl)-2-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105258011

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine (CID 114984867) is [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine is Cn1ccnc1C(CCS(C)(=O)=O)NN.
What is the InChIKey of [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is OTSYFYPJNGCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-12-5-4-10-8(12)7(11-9)3-6-15(2,13)14/h4-5,7,11H,3,6,9H2,1-2H3.
What are the key properties of [1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine?
[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 232.31 g/mol, XLogP of -0.64, 5 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)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114984867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).