N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

C4H10F3N3O2S — CID 75478987

IUPACN'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10-13(11,12)9-2-1-8/h9-10H,1-3,8H2
InChIKeyPYPZKIGKXXCANI-UHFFFAOYSA-N
MW221.20 g/mol
LogP-1.07
Rot. Bonds5

About N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine

N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (PubChem CID 75478987) has the molecular formula C4H10F3N3O2S and a molecular weight of 221.20 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
PubChem CID75478987
Molecular FormulaC4H10F3N3O2S
Molecular Weight221.20 g/mol
Exact Mass221.04
IUPAC NameN'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10-13(11,12)9-2-1-8/h9-10H,1-3,8H2
InChIKeyPYPZKIGKXXCANI-UHFFFAOYSA-N
XLogP-1.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Difluoroethylsulfamide
CID 112695841
(2-Aminoethyl)[(2,2,2-trifluoroethyl)sulfamoyl]amine hydrochloride
CID 75478986
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
N-(2,2-difluoroethyl)sulfamate
CID 86632791
1,1,1-Trifluoro-2-(sulfamoylamino)ethane
CID 87272721
1,1,2-Trifluoro-2-(sulfamoylamino)ethane
CID 174493044
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177
2-[2-Aminoethyl(sulfamoyl)amino]-1,1-difluoroethane
CID 107493820
2-[2-Aminoethyl(sulfamoyl)amino]-1,1,1-trifluoroethane
CID 107493907
1,1,1-Trifluoro-3-(sulfamoylamino)propane
CID 112695027
1,1,1-Trifluoro-4-(sulfamoylamino)butane
CID 112695708
N'-(ethylsulfamoyl)-2,2-difluoropropane-1,3-diamine
CID 114749722

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (CID 75478987) is N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is NCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is PYPZKIGKXXCANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F3N3O2S/c5-4(6,7)3-10-13(11,12)9-2-1-8/h9-10H,1-3,8H2.
What are the key properties of N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine has a molecular weight of 221.20 g/mol, XLogP of -1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 75478987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).