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

C8H13F3N2O2S2 — CID 106217534

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2S2/c1-2-5(6(12)16)17(14,15)13-7(3-4-7)8(9,10)11/h5,13H,2-4H2,1H3,(H2,12,16)
InChIKeyFQKWINOHALWLFR-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.07
Rot. Bonds5

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

2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide (PubChem CID 106217534) has the molecular formula C8H13F3N2O2S2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide
PubChem CID106217534
Molecular FormulaC8H13F3N2O2S2
Molecular Weight290.33 g/mol
Exact Mass290.04
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide
SMILESCCC(C(N)=S)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O2S2/c1-2-5(6(12)16)17(14,15)13-7(3-4-7)8(9,10)11/h5,13H,2-4H2,1H3,(H2,12,16)
InChIKeyFQKWINOHALWLFR-UHFFFAOYSA-N
XLogP1.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.07
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-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanethioamide
CID 83058219
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058774
2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058906
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-amino-N-[1-(trifluoromethyl)cyclopropyl]butane-2-sulfonamide
CID 106217437
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide
CID 106217525
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide
CID 106217531
2-[(1-Methylcyclopropyl)sulfamoyl]propanethioamide
CID 116190700

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide (CID 106217534) is 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide is CCC(C(N)=S)S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide?
The InChIKey is FQKWINOHALWLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2S2/c1-2-5(6(12)16)17(14,15)13-7(3-4-7)8(9,10)11/h5,13H,2-4H2,1H3,(H2,12,16).
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide?
2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]butanethioamide has a molecular weight of 290.33 g/mol, XLogP of 1.07, 5 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]butanethioamide is sourced from PubChem (CID 106217534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).