[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

C12H22N4O2S — CID 107979287

IUPAC[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCn1cnc(C(NN)C2CCCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C12H22N4O2S/c1-16-7-11(14-8-16)12(15-13)9-4-3-5-10(6-9)19(2,17)18/h7-10,12,15H,3-6,13H2,1-2H3
InChIKeyUJXGTXFTGYPBLY-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.53
Rot. Bonds4

About [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine

[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (PubChem CID 107979287) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
PubChem CID107979287
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
SMILESCn1cnc(C(NN)C2CCCC(S(C)(=O)=O)C2)c1
InChIInChI=1S/C12H22N4O2S/c1-16-7-11(14-8-16)12(15-13)9-4-3-5-10(6-9)19(2,17)18/h7-10,12,15H,3-6,13H2,1-2H3
InChIKeyUJXGTXFTGYPBLY-UHFFFAOYSA-N
XLogP0.53
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.53
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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Frequently Asked Questions

What is the IUPAC name of [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The IUPAC name of [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine (CID 107979287) is [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine.
What is the SMILES notation for [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The canonical SMILES for [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is Cn1cnc(C(NN)C2CCCC(S(C)(=O)=O)C2)c1.
What is the InChIKey of [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
The InChIKey is UJXGTXFTGYPBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-16-7-11(14-8-16)12(15-13)9-4-3-5-10(6-9)19(2,17)18/h7-10,12,15H,3-6,13H2,1-2H3.
What are the key properties of [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine?
[(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylimidazol-4-yl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine is sourced from PubChem (CID 107979287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).