2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane

C6H14F3N3O2S — CID 114803713

IUPAC2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCCN(CCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-2-12(4-3-10)15(13,14)11-5-6(7,8)9/h11H,2-5,10H2,1H3
InChIKeyQUPFZRCSRLIXPN-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.34
Rot. Bonds6

About 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane

2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane (PubChem CID 114803713) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
PubChem CID114803713
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC Name2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane
SMILESCCN(CCN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-2-12(4-3-10)15(13,14)11-5-6(7,8)9/h11H,2-5,10H2,1H3
InChIKeyQUPFZRCSRLIXPN-UHFFFAOYSA-N
XLogP-0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The IUPAC name of 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane (CID 114803713) is 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane is CCN(CCN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
The InChIKey is QUPFZRCSRLIXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-2-12(4-3-10)15(13,14)11-5-6(7,8)9/h11H,2-5,10H2,1H3.
What are the key properties of 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane?
2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane has a molecular weight of 249.26 g/mol, XLogP of -0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(ethyl)sulfamoyl]amino]-1,1,1-trifluoroethane is sourced from PubChem (CID 114803713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).