2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide

C7H14F2N2O2S2 — CID 61124289

IUPAC2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C7H14F2N2O2S2/c1-3-7(4-2,5(10)14)11-15(12,13)6(8)9/h6,11H,3-4H2,1-2H3,(H2,10,14)
InChIKeyCUTSAWZPWPPURF-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.97
Rot. Bonds6

About 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide

2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide (PubChem CID 61124289) has the molecular formula C7H14F2N2O2S2 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide
PubChem CID61124289
Molecular FormulaC7H14F2N2O2S2
Molecular Weight260.33 g/mol
Exact Mass260.05
IUPAC Name2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide
SMILESCCC(CC)(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C7H14F2N2O2S2/c1-3-7(4-2,5(10)14)11-15(12,13)6(8)9/h6,11H,3-4H2,1-2H3,(H2,10,14)
InChIKeyCUTSAWZPWPPURF-UHFFFAOYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.97
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-(Difluoromethylsulfonylamino)-2-methylpropanethioamide
CID 61118851
2-(Difluoromethylsulfonylamino)-2-methylbutanethioamide
CID 61122484
1-(Difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
CID 61124457
2-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058774
2-Ethyl-2-(4,4,4-trifluorobutylsulfonylamino)butanethioamide
CID 83058906
2-Ethyl-2-(methanesulfonamido)butanethioamide
CID 61124286
2-(Methanesulfonamido)-2-methylbutanethioamide
CID 61124476

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide (CID 61124289) is 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide is CCC(CC)(NS(=O)(=O)C(F)F)C(N)=S.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide?
The InChIKey is CUTSAWZPWPPURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O2S2/c1-3-7(4-2,5(10)14)11-15(12,13)6(8)9/h6,11H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide?
2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide has a molecular weight of 260.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-2-ethylbutanethioamide is sourced from PubChem (CID 61124289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).