2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide

C7H14F3N3O2S2 — CID 114808128

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C7H14F3N3O2S2/c1-2-3-5(6(11)16)13-17(14,15)12-4-7(8,9)10/h5,12-13H,2-4H2,1H3,(H2,11,16)
InChIKeyOSZUMFLDLZDOKX-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.43
Rot. Bonds7

About 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide

2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide (PubChem CID 114808128) has the molecular formula C7H14F3N3O2S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide
PubChem CID114808128
Molecular FormulaC7H14F3N3O2S2
Molecular Weight293.34 g/mol
Exact Mass293.05
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)NCC(F)(F)F)C(N)=S
InChIInChI=1S/C7H14F3N3O2S2/c1-2-3-5(6(11)16)13-17(14,15)12-4-7(8,9)10/h5,12-13H,2-4H2,1H3,(H2,11,16)
InChIKeyOSZUMFLDLZDOKX-UHFFFAOYSA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(Difluoromethylsulfonylamino)pentanethioamide
CID 61122650
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
2-(Difluoromethylsulfonylamino)butanethioamide
CID 61124243
3-(Difluoromethylsulfonylamino)pentanethioamide
CID 62652559
N-(1-aminopentan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 65193226
2-(4,4,4-Trifluorobutylsulfonylamino)pentanethioamide
CID 83058365
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanethioamide
CID 113637077
2-Cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanethioamide
CID 113637113
2-N-(2,2,2-trifluoroethylsulfamoyl)pentane-1,2-diamine
CID 114803686
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanethioamide
CID 114808107
2-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808114
2-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808121

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide (CID 114808128) is 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide is CCCC(NS(=O)(=O)NCC(F)(F)F)C(N)=S.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
The InChIKey is OSZUMFLDLZDOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S2/c1-2-3-5(6(11)16)13-17(14,15)12-4-7(8,9)10/h5,12-13H,2-4H2,1H3,(H2,11,16).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide has a molecular weight of 293.34 g/mol, XLogP of 0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 114808128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).