[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine

C12H24N2O3S — CID 105229423

IUPAC[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C2CCOC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)11-4-2-3-9(7-11)12(14-13)10-5-6-17-8-10/h9-12,14H,2-8,13H2,1H3
InChIKeyATXWTNDSNAPQSG-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.46
Rot. Bonds4

About [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine

[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine (PubChem CID 105229423) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
PubChem CID105229423
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(NN)C2CCOC2)C1
InChIInChI=1S/C12H24N2O3S/c1-18(15,16)11-4-2-3-9(7-11)12(14-13)10-5-6-17-8-10/h9-12,14H,2-8,13H2,1H3
InChIKeyATXWTNDSNAPQSG-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine?
The IUPAC name of [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine (CID 105229423) is [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine is CS(=O)(=O)C1CCCC(C(NN)C2CCOC2)C1.
What is the InChIKey of [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine?
The InChIKey is ATXWTNDSNAPQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(15,16)11-4-2-3-9(7-11)12(14-13)10-5-6-17-8-10/h9-12,14H,2-8,13H2,1H3.
What are the key properties of [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine?
[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine has a molecular weight of 276.40 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105229423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).