[3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane

C11H23F2N3O3S — CID 106091831

IUPAC[3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane
SMILESCN(CCCNC1CC1)S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C11H23F2N3O3S/c1-16(7-2-5-14-10-3-4-10)20(17,18)15-6-8-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyZDDBTCSBOPEZDZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.18
Rot. Bonds12

About [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane

[3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane (PubChem CID 106091831) has the molecular formula C11H23F2N3O3S and a molecular weight of 315.39 g/mol. Its IUPAC name is [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane.

Molecular Properties

Compound Name[3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane
PubChem CID106091831
Molecular FormulaC11H23F2N3O3S
Molecular Weight315.39 g/mol
Exact Mass315.14
IUPAC Name[3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane
SMILESCN(CCCNC1CC1)S(=O)(=O)NCCOCC(F)F
InChIInChI=1S/C11H23F2N3O3S/c1-16(7-2-5-14-10-3-4-10)20(17,18)15-6-8-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3
InChIKeyZDDBTCSBOPEZDZ-UHFFFAOYSA-N
XLogP0.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.18
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 [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane?
The IUPAC name of [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane (CID 106091831) is [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane.
What is the SMILES notation for [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane?
The canonical SMILES for [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane is CN(CCCNC1CC1)S(=O)(=O)NCCOCC(F)F.
What is the InChIKey of [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane?
The InChIKey is ZDDBTCSBOPEZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3O3S/c1-16(7-2-5-14-10-3-4-10)20(17,18)15-6-8-19-9-11(12)13/h10-11,14-15H,2-9H2,1H3.
What are the key properties of [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane?
[3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane has a molecular weight of 315.39 g/mol, XLogP of 0.18, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2,2-difluoroethoxy)ethylsulfamoyl-methylamino]propylamino]cyclopropane is sourced from PubChem (CID 106091831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).