2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile

C7H10F3N3O2S — CID 114807932

IUPAC2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
SMILESN#CC(NS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)4-12-16(14,15)13-6(3-11)5-1-2-5/h5-6,12-13H,1-2,4H2
InChIKeyKLIIVYNSUDJWIC-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.27
Rot. Bonds5

About 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile

2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile (PubChem CID 114807932) has the molecular formula C7H10F3N3O2S and a molecular weight of 257.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
PubChem CID114807932
Molecular FormulaC7H10F3N3O2S
Molecular Weight257.24 g/mol
Exact Mass257.04
IUPAC Name2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile
SMILESN#CC(NS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H10F3N3O2S/c8-7(9,10)4-12-16(14,15)13-6(3-11)5-1-2-5/h5-6,12-13H,1-2,4H2
InChIKeyKLIIVYNSUDJWIC-UHFFFAOYSA-N
XLogP0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(cyclopropyl)methyl]-1,1-difluoromethanesulfonamide
CID 64425976
1-cyclopropyl-N-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114804056
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanenitrile
CID 114807680
3-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807925
1-cyclopropyl-N'-(2,2,2-trifluoroethylsulfamoyl)ethane-1,2-diamine
CID 114811209
2-Cyclopropyl-2-(propylsulfamoylamino)acetonitrile
CID 114807933
2-Cyclopropyl-2-(ethylsulfamoylamino)acetonitrile
CID 114807935
2-Cyclopropyl-2-(methylsulfamoylamino)acetonitrile
CID 114807936
2-Cyclopropyl-2-(propan-2-ylsulfamoylamino)acetonitrile
CID 114807937
[Cyano-(sulfamoylamino)methyl]cyclopropane
CID 114959133

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile (CID 114807932) is 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile is N#CC(NS(=O)(=O)NCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
The InChIKey is KLIIVYNSUDJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2S/c8-7(9,10)4-12-16(14,15)13-6(3-11)5-1-2-5/h5-6,12-13H,1-2,4H2.
What are the key properties of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile?
2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile has a molecular weight of 257.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)acetonitrile is sourced from PubChem (CID 114807932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).