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

C7H14F3N3O2S — CID 114811209

IUPAC1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNC(CNS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)4-13-16(14,15)12-3-6(11)5-1-2-5/h5-6,12-13H,1-4,11H2
InChIKeyWTGYLYMTOXLEGJ-UHFFFAOYSA-N
MW261.27 g/mol
LogP-0.29
Rot. Bonds6

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

1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (PubChem CID 114811209) has the molecular formula C7H14F3N3O2S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
PubChem CID114811209
Molecular FormulaC7H14F3N3O2S
Molecular Weight261.27 g/mol
Exact Mass261.08
IUPAC Name1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
SMILESNC(CNS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H14F3N3O2S/c8-7(9,10)4-13-16(14,15)12-3-6(11)5-1-2-5/h5-6,12-13H,1-4,11H2
InChIKeyWTGYLYMTOXLEGJ-UHFFFAOYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-1,1-difluoromethanesulfonamide
CID 63765271
N-(2-amino-1-cyclopropylethyl)-1,1-difluoromethanesulfonamide
CID 64420505
N-(2-amino-1-cyclopropylethyl)-1,1,1-trifluoromethanesulfonamide
CID 65188401
2-Cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 113637113
4-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637345
4-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 113637383
3-ethyl-1-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114168570
3-methyl-2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114804049
1-cyclopropyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114804056
2-Cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
CID 114807932
3-methyl-1-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114810885
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclobutan-1-amine
CID 114812875

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine (CID 114811209) is 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is NC(CNS(=O)(=O)NCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
The InChIKey is WTGYLYMTOXLEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S/c8-7(9,10)4-13-16(14,15)12-3-6(11)5-1-2-5/h5-6,12-13H,1-4,11H2.
What are the key properties of 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine?
1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine has a molecular weight of 261.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine is sourced from PubChem (CID 114811209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).