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

C6H15F2N3O2S — CID 107493872

IUPACN'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C6H15F2N3O2S/c1-10(2)14(12,13)11(4-3-9)5-6(7)8/h6H,3-5,9H2,1-2H3
InChIKeyHKFWQFUYUFSHQN-UHFFFAOYSA-N
MW231.27 g/mol
LogP-0.68
Rot. Bonds6

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

N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine (PubChem CID 107493872) has the molecular formula C6H15F2N3O2S and a molecular weight of 231.27 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine
PubChem CID107493872
Molecular FormulaC6H15F2N3O2S
Molecular Weight231.27 g/mol
Exact Mass231.09
IUPAC NameN'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine
SMILESCN(C)S(=O)(=O)N(CCN)CC(F)F
InChIInChI=1S/C6H15F2N3O2S/c1-10(2)14(12,13)11(4-3-9)5-6(7)8/h6H,3-5,9H2,1-2H3
InChIKeyHKFWQFUYUFSHQN-UHFFFAOYSA-N
XLogP-0.68
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine (CID 107493872) is N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine is CN(C)S(=O)(=O)N(CCN)CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is HKFWQFUYUFSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15F2N3O2S/c1-10(2)14(12,13)11(4-3-9)5-6(7)8/h6H,3-5,9H2,1-2H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine has a molecular weight of 231.27 g/mol, XLogP of -0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(dimethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 107493872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).