[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine

C13H26N2O3S — CID 105198670

IUPAC[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(CC2CCCO2)NN)C1
InChIInChI=1S/C13H26N2O3S/c1-19(16,17)12-6-2-4-10(8-12)13(15-14)9-11-5-3-7-18-11/h10-13,15H,2-9,14H2,1H3
InChIKeyCVRPTOGIGLYXJU-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.99
Rot. Bonds5

About [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine

[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine (PubChem CID 105198670) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine
PubChem CID105198670
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine
SMILESCS(=O)(=O)C1CCCC(C(CC2CCCO2)NN)C1
InChIInChI=1S/C13H26N2O3S/c1-19(16,17)12-6-2-4-10(8-12)13(15-14)9-11-5-3-7-18-11/h10-13,15H,2-9,14H2,1H3
InChIKeyCVRPTOGIGLYXJU-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.99
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 [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine (CID 105198670) is [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine is CS(=O)(=O)C1CCCC(C(CC2CCCO2)NN)C1.
What is the InChIKey of [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine?
The InChIKey is CVRPTOGIGLYXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-19(16,17)12-6-2-4-10(8-12)13(15-14)9-11-5-3-7-18-11/h10-13,15H,2-9,14H2,1H3.
What are the key properties of [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine?
[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine has a molecular weight of 290.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylsulfonylcyclohexyl)-2-(oxolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105198670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).