1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane

C7H15F3N2O3S — CID 114809789

IUPAC1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane
SMILESCCN(CCCO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-2-12(4-3-5-13)16(14,15)11-6-7(8,9)10/h11,13H,2-6H2,1H3
InChIKeyJWBSPPITDKPJFP-UHFFFAOYSA-N
MW264.27 g/mol
LogP0.09
Rot. Bonds7

About 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane

1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane (PubChem CID 114809789) has the molecular formula C7H15F3N2O3S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane
PubChem CID114809789
Molecular FormulaC7H15F3N2O3S
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane
SMILESCCN(CCCO)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N2O3S/c1-2-12(4-3-5-13)16(14,15)11-6-7(8,9)10/h11,13H,2-6H2,1H3
InChIKeyJWBSPPITDKPJFP-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane (CID 114809789) is 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane is CCN(CCCO)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane?
The InChIKey is JWBSPPITDKPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N2O3S/c1-2-12(4-3-5-13)16(14,15)11-6-7(8,9)10/h11,13H,2-6H2,1H3.
What are the key properties of 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane?
1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane has a molecular weight of 264.27 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane is sourced from PubChem (CID 114809789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).