2-(difluoromethylsulfonylamino)butanethioamide

C5H10F2N2O2S2 — CID 61124243

IUPAC2-(difluoromethylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C5H10F2N2O2S2/c1-2-3(4(8)12)9-13(10,11)5(6)7/h3,5,9H,2H2,1H3,(H2,8,12)
InChIKeyNHPLGYSGFZAURQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.19
Rot. Bonds5

About 2-(difluoromethylsulfonylamino)butanethioamide

2-(difluoromethylsulfonylamino)butanethioamide (PubChem CID 61124243) has the molecular formula C5H10F2N2O2S2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)butanethioamide
PubChem CID61124243
Molecular FormulaC5H10F2N2O2S2
Molecular Weight232.28 g/mol
Exact Mass232.02
IUPAC Name2-(difluoromethylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C5H10F2N2O2S2/c1-2-3(4(8)12)9-13(10,11)5(6)7/h3,5,9H,2H2,1H3,(H2,8,12)
InChIKeyNHPLGYSGFZAURQ-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.19
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
2-(Difluoromethylsulfonylamino)pentanethioamide
CID 61122650
N-(1-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 61122982
2-(Difluoromethylsulfonylamino)propanethioamide
CID 61123041
N-(1-aminopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 61124154
N-(1-aminopentan-2-yl)-1,1-difluoromethanesulfonamide
CID 61133408
2-[Difluoromethylsulfonyl(methyl)amino]propanethioamide
CID 61888295
N-(4-aminobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 62094398
3-(Difluoromethylsulfonylamino)butanethioamide
CID 62094789
3-(Difluoromethylsulfonylamino)pentanethioamide
CID 62652559
3-(Difluoromethylsulfonylamino)propanethioamide
CID 62666525
4-(Difluoromethylsulfonylamino)butanethioamide
CID 62667364

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)butanethioamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)butanethioamide (CID 61124243) is 2-(difluoromethylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)butanethioamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)butanethioamide is CCC(NS(=O)(=O)C(F)F)C(N)=S.
What is the InChIKey of 2-(difluoromethylsulfonylamino)butanethioamide?
The InChIKey is NHPLGYSGFZAURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S2/c1-2-3(4(8)12)9-13(10,11)5(6)7/h3,5,9H,2H2,1H3,(H2,8,12).
What are the key properties of 2-(difluoromethylsulfonylamino)butanethioamide?
2-(difluoromethylsulfonylamino)butanethioamide has a molecular weight of 232.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)butanethioamide is sourced from PubChem (CID 61124243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).