1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane

C11H24F3N3O3S — CID 106064625

IUPAC1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H24F3N3O3S/c1-10(2)15-5-4-7-17(3)21(18,19)16-6-8-20-9-11(12,13)14/h10,15-16H,4-9H2,1-3H3
InChIKeyYSSVMBXQMLRHGV-UHFFFAOYSA-N
MW335.39 g/mol
LogP0.72
Rot. Bonds11

About 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane

1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane (PubChem CID 106064625) has the molecular formula C11H24F3N3O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane.

Molecular Properties

Compound Name1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane
PubChem CID106064625
Molecular FormulaC11H24F3N3O3S
Molecular Weight335.39 g/mol
Exact Mass335.15
IUPAC Name1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane
SMILESCC(C)NCCCN(C)S(=O)(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H24F3N3O3S/c1-10(2)15-5-4-7-17(3)21(18,19)16-6-8-20-9-11(12,13)14/h10,15-16H,4-9H2,1-3H3
InChIKeyYSSVMBXQMLRHGV-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.72
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 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
The IUPAC name of 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane (CID 106064625) is 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane.
What is the SMILES notation for 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
The canonical SMILES for 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane is CC(C)NCCCN(C)S(=O)(=O)NCCOCC(F)(F)F.
What is the InChIKey of 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
The InChIKey is YSSVMBXQMLRHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F3N3O3S/c1-10(2)15-5-4-7-17(3)21(18,19)16-6-8-20-9-11(12,13)14/h10,15-16H,4-9H2,1-3H3.
What are the key properties of 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane?
1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane has a molecular weight of 335.39 g/mol, XLogP of 0.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(2,2,2-trifluoroethoxy)ethylsulfamoyl]amino]-3-(propan-2-ylamino)propane is sourced from PubChem (CID 106064625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).