[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane

C11H25N3O2S — CID 55100441

IUPAC[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
SMILESCCNCCNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-12-9-10-13-17(15,16)14(2)11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3
InChIKeyLBGFMZVEWRTYNL-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.69
Rot. Bonds7

About [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane

[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane (PubChem CID 55100441) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane.

Molecular Properties

Compound Name[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
PubChem CID55100441
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane
SMILESCCNCCNS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-12-9-10-13-17(15,16)14(2)11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3
InChIKeyLBGFMZVEWRTYNL-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane?
The IUPAC name of [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane (CID 55100441) is [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane.
What is the SMILES notation for [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane?
The canonical SMILES for [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane is CCNCCNS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane?
The InChIKey is LBGFMZVEWRTYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-12-9-10-13-17(15,16)14(2)11-7-5-4-6-8-11/h11-13H,3-10H2,1-2H3.
What are the key properties of [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane?
[2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane has a molecular weight of 263.41 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)ethylsulfamoyl-methylamino]cyclohexane is sourced from PubChem (CID 55100441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).