2-(difluoromethylsulfonylamino)propanethioamide

C4H8F2N2O2S2 — CID 61123041

IUPAC2-(difluoromethylsulfonylamino)propanethioamide
SMILESCC(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C4H8F2N2O2S2/c1-2(3(7)11)8-12(9,10)4(5)6/h2,4,8H,1H3,(H2,7,11)
InChIKeyIXYLSJCDEXMSPG-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.20
Rot. Bonds4

About 2-(difluoromethylsulfonylamino)propanethioamide

2-(difluoromethylsulfonylamino)propanethioamide (PubChem CID 61123041) has the molecular formula C4H8F2N2O2S2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)propanethioamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)propanethioamide
PubChem CID61123041
Molecular FormulaC4H8F2N2O2S2
Molecular Weight218.25 g/mol
Exact Mass218.00
IUPAC Name2-(difluoromethylsulfonylamino)propanethioamide
SMILESCC(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C4H8F2N2O2S2/c1-2(3(7)11)8-12(9,10)4(5)6/h2,4,8H,1H3,(H2,7,11)
InChIKeyIXYLSJCDEXMSPG-UHFFFAOYSA-N
XLogP-0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.20
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-(3-aminobutan-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 56992749
1,1-difluoro-N-propan-2-ylmethanesulfonamide
CID 64295572
(2R)-2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236496
2-amino-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 130236498
3-Amino-4,4,4-trifluorobutane-2-sulfonamide
CID 153638558
2-(Difluoromethylsulfonylamino)-2-methylpropanethioamide
CID 61118851
2-(Difluoromethylsulfonylamino)pentanethioamide
CID 61122650
N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61122982
N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124154
2-(Difluoromethylsulfonylamino)butanethioamide
CID 61124243
2-(Difluoromethylsulfonylamino)ethanethioamide
CID 61127692
2-[Difluoromethylsulfonyl(methyl)amino]propanethioamide
CID 61888295

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)propanethioamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)propanethioamide (CID 61123041) is 2-(difluoromethylsulfonylamino)propanethioamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)propanethioamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)propanethioamide is CC(NS(=O)(=O)C(F)F)C(N)=S.
What is the InChIKey of 2-(difluoromethylsulfonylamino)propanethioamide?
The InChIKey is IXYLSJCDEXMSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2O2S2/c1-2(3(7)11)8-12(9,10)4(5)6/h2,4,8H,1H3,(H2,7,11).
What are the key properties of 2-(difluoromethylsulfonylamino)propanethioamide?
2-(difluoromethylsulfonylamino)propanethioamide has a molecular weight of 218.25 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)propanethioamide is sourced from PubChem (CID 61123041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).