[3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane

C11H22F3N3O3S — CID 106064607

IUPAC[3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
SMILESCN(CCCNC1CC1)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-17(7-2-5-15-10-3-4-10)21(18,19)16-6-8-20-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyGSEYVQAGINHOTA-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.47
Rot. Bonds11

About [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane

[3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane (PubChem CID 106064607) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane.

Molecular Properties

Compound Name[3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
PubChem CID106064607
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC Name[3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
SMILESCN(CCCNC1CC1)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3N3O3S/c1-17(7-2-5-15-10-3-4-10)21(18,19)16-6-8-20-9-11(12,13)14/h10,15-16H,2-9H2,1H3
InChIKeyGSEYVQAGINHOTA-UHFFFAOYSA-N
XLogP0.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.47
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-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
The IUPAC name of [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane (CID 106064607) is [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane.
What is the SMILES notation for [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
The canonical SMILES for [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane is CN(CCCNC1CC1)S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
The InChIKey is GSEYVQAGINHOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-17(7-2-5-15-10-3-4-10)21(18,19)16-6-8-20-9-11(12,13)14/h10,15-16H,2-9H2,1H3.
What are the key properties of [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane?
[3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane has a molecular weight of 333.38 g/mol, XLogP of 0.47, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]propylamino]cyclopropane is sourced from PubChem (CID 106064607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).