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

C6H14F3N3O2S — CID 107493954

IUPACN'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-11(2)15(13,14)12(4-3-10)5-6(7,8)9/h3-5,10H2,1-2H3
InChIKeyLDORCDNMYWORDM-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.38
Rot. Bonds5

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

N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107493954) has the molecular formula C6H14F3N3O2S and a molecular weight of 249.26 g/mol. Its IUPAC name is N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107493954
Molecular FormulaC6H14F3N3O2S
Molecular Weight249.26 g/mol
Exact Mass249.08
IUPAC NameN'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C6H14F3N3O2S/c1-11(2)15(13,14)12(4-3-10)5-6(7,8)9/h3-5,10H2,1-2H3
InChIKeyLDORCDNMYWORDM-UHFFFAOYSA-N
XLogP-0.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107493954) is N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CN(C)S(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is LDORCDNMYWORDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F3N3O2S/c1-11(2)15(13,14)12(4-3-10)5-6(7,8)9/h3-5,10H2,1-2H3.
What are the key properties of N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 249.26 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(dimethylsulfamoyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107493954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).