[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane

C10H23N3O3S — CID 120717956

IUPAC[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
SMILESCOCCNCCNS(=O)(=O)N(C)CC1CC1
InChIInChI=1S/C10H23N3O3S/c1-13(9-10-3-4-10)17(14,15)12-6-5-11-7-8-16-2/h10-12H,3-9H2,1-2H3
InChIKeyZXBMGPBUXUGDSX-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.60
Rot. Bonds10

About [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane

[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane (PubChem CID 120717956) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
PubChem CID120717956
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC Name[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
SMILESCOCCNCCNS(=O)(=O)N(C)CC1CC1
InChIInChI=1S/C10H23N3O3S/c1-13(9-10-3-4-10)17(14,15)12-6-5-11-7-8-16-2/h10-12H,3-9H2,1-2H3
InChIKeyZXBMGPBUXUGDSX-UHFFFAOYSA-N
XLogP-0.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane?
The IUPAC name of [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane (CID 120717956) is [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane.
What is the SMILES notation for [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane?
The canonical SMILES for [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane is COCCNCCNS(=O)(=O)N(C)CC1CC1.
What is the InChIKey of [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane?
The InChIKey is ZXBMGPBUXUGDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-13(9-10-3-4-10)17(14,15)12-6-5-11-7-8-16-2/h10-12H,3-9H2,1-2H3.
What are the key properties of [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane?
[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane has a molecular weight of 265.38 g/mol, XLogP of -0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane is sourced from PubChem (CID 120717956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).