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

C7H11F3N2O2S2 — CID 106217531

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O2S2/c1-4(5(11)15)16(13,14)12-6(2-3-6)7(8,9)10/h4,12H,2-3H2,1H3,(H2,11,15)
InChIKeyHBJQHAOOCQNVAE-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.68
Rot. Bonds4

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

2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide (PubChem CID 106217531) has the molecular formula C7H11F3N2O2S2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide
PubChem CID106217531
Molecular FormulaC7H11F3N2O2S2
Molecular Weight276.31 g/mol
Exact Mass276.02
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide
SMILESCC(C(N)=S)S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H11F3N2O2S2/c1-4(5(11)15)16(13,14)12-6(2-3-6)7(8,9)10/h4,12H,2-3H2,1H3,(H2,11,15)
InChIKeyHBJQHAOOCQNVAE-UHFFFAOYSA-N
XLogP0.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.68
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

N-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
CID 146411779
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]ethanesulfonamide
CID 106213610
1-amino-N-[1-(trifluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 106217444
2-[[1-(Trifluoromethyl)cyclopropyl]sulfamoyl]ethanethioamide
CID 106217525

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide (CID 106217531) is 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide is CC(C(N)=S)S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide?
The InChIKey is HBJQHAOOCQNVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2S2/c1-4(5(11)15)16(13,14)12-6(2-3-6)7(8,9)10/h4,12H,2-3H2,1H3,(H2,11,15).
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide?
2-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]propanethioamide has a molecular weight of 276.31 g/mol, XLogP of 0.68, 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]propanethioamide is sourced from PubChem (CID 106217531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).