2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine

C5H12F3N3O2S — CID 114803651

IUPAC2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
SMILESCC(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H12F3N3O2S/c1-4(2-9)11-14(12,13)10-3-5(6,7)8/h4,10-11H,2-3,9H2,1H3
InChIKeyXBHRWIMNFWHYCJ-UHFFFAOYSA-N
MW235.23 g/mol
LogP-0.68
Rot. Bonds5

About 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine

2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine (PubChem CID 114803651) has the molecular formula C5H12F3N3O2S and a molecular weight of 235.23 g/mol. Its IUPAC name is 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
PubChem CID114803651
Molecular FormulaC5H12F3N3O2S
Molecular Weight235.23 g/mol
Exact Mass235.06
IUPAC Name2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
SMILESCC(CN)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H12F3N3O2S/c1-4(2-9)11-14(12,13)10-3-5(6,7)8/h4,10-11H,2-3,9H2,1H3
InChIKeyXBHRWIMNFWHYCJ-UHFFFAOYSA-N
XLogP-0.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1,1,1-trifluoromethanesulfonamide
CID 14663477
N-(2,2,3,3,3-pentafluoropropylsulfamoyl)butan-1-amine
CID 22621391
N-(2,2,2-trifluoroethylsulfamoyl)butan-1-amine
CID 22621393
Isopropyl(trifluoromethylsulfonyl)amine
CID 22908457
N-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
N-(3-fluorobutan-2-yl)sulfamoyl fluoride
CID 130225175
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
CID 140578437
molecular hydrogen;1,1,1-trifluoro-N-propan-2-ylmethanesulfonamide
CID 145044077
N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 17804134
N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61122982
N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124154

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The IUPAC name of 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine (CID 114803651) is 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine is CC(CN)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
The InChIKey is XBHRWIMNFWHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12F3N3O2S/c1-4(2-9)11-14(12,13)10-3-5(6,7)8/h4,10-11H,2-3,9H2,1H3.
What are the key properties of 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine?
2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine has a molecular weight of 235.23 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine is sourced from PubChem (CID 114803651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).