5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide

C7H14F3N3O2S2 — CID 114808440

IUPAC5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide
SMILESNC(=S)CCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O2S2/c8-7(9,10)5-13-17(14,15)12-4-2-1-3-6(11)16/h12-13H,1-5H2,(H2,11,16)
InChIKeySNWUCPRNLCQXBW-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.43
Rot. Bonds8

About 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide

5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide (PubChem CID 114808440) has the molecular formula C7H14F3N3O2S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide
PubChem CID114808440
Molecular FormulaC7H14F3N3O2S2
Molecular Weight293.34 g/mol
Exact Mass293.05
IUPAC Name5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide
SMILESNC(=S)CCCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H14F3N3O2S2/c8-7(9,10)5-13-17(14,15)12-4-2-1-3-6(11)16/h12-13H,1-5H2,(H2,11,16)
InChIKeySNWUCPRNLCQXBW-UHFFFAOYSA-N
XLogP0.43
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-(Difluoromethylsulfonylamino)butanethioamide
CID 62667364
5-(Difluoromethylsulfonylamino)pentanethioamide
CID 64418724
1,1,1-Trifluoro-5-(sulfamoylamino)pentane
CID 112703664
2-(2,2,2-Trifluoroethylsulfamoylamino)ethanethioamide
CID 114808100
2-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808121
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanethioamide
CID 114808128
3-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808264
4-(2,2,2-Trifluoroethylsulfamoylamino)butanethioamide
CID 114808298
3-(2,2,2-Trifluoroethylsulfamoylamino)propanethioamide
CID 114808305
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanethioamide
CID 114808319
2-(5,5,5-Trifluoropentylsulfamoyl)ethanethioamide
CID 115519865
5-(Methylsulfamoylamino)pentanethioamide
CID 114808442

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
The IUPAC name of 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide (CID 114808440) is 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide.
What is the SMILES notation for 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
The canonical SMILES for 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide is NC(=S)CCCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
The InChIKey is SNWUCPRNLCQXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2S2/c8-7(9,10)5-13-17(14,15)12-4-2-1-3-6(11)16/h12-13H,1-5H2,(H2,11,16).
What are the key properties of 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide?
5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide has a molecular weight of 293.34 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylsulfamoylamino)pentanethioamide is sourced from PubChem (CID 114808440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).