N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H18F3N3O2S — CID 107493947

IUPACN'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-13(4-2)17(15,16)14(6-5-12)7-8(9,10)11/h3-7,12H2,1-2H3
InChIKeyYVZVPTPOWAQLSV-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.40
Rot. Bonds7

About N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107493947) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107493947
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC NameN'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCN(CC)S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-13(4-2)17(15,16)14(6-5-12)7-8(9,10)11/h3-7,12H2,1-2H3
InChIKeyYVZVPTPOWAQLSV-UHFFFAOYSA-N
XLogP0.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107493947) is N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCN(CC)S(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is YVZVPTPOWAQLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-3-13(4-2)17(15,16)14(6-5-12)7-8(9,10)11/h3-7,12H2,1-2H3.
What are the key properties of N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 277.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(diethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107493947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).