2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide

C6H9F3N2O2S2 — CID 106217525

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide
SMILESNC(=S)CS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2O2S2/c7-6(8,9)5(1-2-5)11-15(12,13)3-4(10)14/h11H,1-3H2,(H2,10,14)
InChIKeyOGKSOBDAAQHLPY-UHFFFAOYSA-N
MW262.28 g/mol
LogP0.29
Rot. Bonds4

About 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide

2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide (PubChem CID 106217525) has the molecular formula C6H9F3N2O2S2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide
PubChem CID106217525
Molecular FormulaC6H9F3N2O2S2
Molecular Weight262.28 g/mol
Exact Mass262.01
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide
SMILESNC(=S)CS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2O2S2/c7-6(8,9)5(1-2-5)11-15(12,13)3-4(10)14/h11H,1-3H2,(H2,10,14)
InChIKeyOGKSOBDAAQHLPY-UHFFFAOYSA-N
XLogP0.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
2-(Difluoromethylsulfonylamino)-2-methylpropanethioamide
CID 61118851
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
CID 83058219
N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106212634
N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
CID 106212637
N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 106212638
1-cyano-N-[1-(trifluoromethyl)cyclopropyl]methanesulfonamide
CID 106213600
2-amino-N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
CID 106217432
3-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
CID 106217450
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide
CID 106217531
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide
CID 106217534

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide (CID 106217525) is 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide is NC(=S)CS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide?
The InChIKey is OGKSOBDAAQHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2S2/c7-6(8,9)5(1-2-5)11-15(12,13)3-4(10)14/h11H,1-3H2,(H2,10,14).
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide?
2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide has a molecular weight of 262.28 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide is sourced from PubChem (CID 106217525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).