2-(difluoromethylsulfonylamino)pentanethioamide

C6H12F2N2O2S2 — CID 61122650

IUPAC2-(difluoromethylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C6H12F2N2O2S2/c1-2-3-4(5(9)13)10-14(11,12)6(7)8/h4,6,10H,2-3H2,1H3,(H2,9,13)
InChIKeyONBLGADJVMNSJH-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.58
Rot. Bonds6

About 2-(difluoromethylsulfonylamino)pentanethioamide

2-(difluoromethylsulfonylamino)pentanethioamide (PubChem CID 61122650) has the molecular formula C6H12F2N2O2S2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)pentanethioamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)pentanethioamide
PubChem CID61122650
Molecular FormulaC6H12F2N2O2S2
Molecular Weight246.30 g/mol
Exact Mass246.03
IUPAC Name2-(difluoromethylsulfonylamino)pentanethioamide
SMILESCCCC(NS(=O)(=O)C(F)F)C(N)=S
InChIInChI=1S/C6H12F2N2O2S2/c1-2-3-4(5(9)13)10-14(11,12)6(7)8/h4,6,10H,2-3H2,1H3,(H2,9,13)
InChIKeyONBLGADJVMNSJH-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.58
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-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
2-(cyclohexylsulfonylamino)pentanethioamide
CID 61123847
2-(propan-2-ylsulfonylamino)butanethioamide
CID 61122844
3-(difluoromethylsulfonylamino)butanethioamide
CID 62094789
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 61124839
2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide
CID 116527541
2-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 62061405
2-[(1-methylimidazol-4-yl)sulfonylamino]pentanethioamide
CID 55068751
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-propylpentanamide
CID 82983954
N-(1-amino-1-sulfanylidenepentan-2-yl)-2,2-dimethylpropanamide
CID 61121494
N-(1-amino-1-sulfanylidenepentan-2-yl)-4-methylpentanamide
CID 61120703

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)pentanethioamide?
The IUPAC name of 2-(difluoromethylsulfonylamino)pentanethioamide (CID 61122650) is 2-(difluoromethylsulfonylamino)pentanethioamide.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)pentanethioamide?
The canonical SMILES for 2-(difluoromethylsulfonylamino)pentanethioamide is CCCC(NS(=O)(=O)C(F)F)C(N)=S.
What is the InChIKey of 2-(difluoromethylsulfonylamino)pentanethioamide?
The InChIKey is ONBLGADJVMNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2S2/c1-2-3-4(5(9)13)10-14(11,12)6(7)8/h4,6,10H,2-3H2,1H3,(H2,9,13).
What are the key properties of 2-(difluoromethylsulfonylamino)pentanethioamide?
2-(difluoromethylsulfonylamino)pentanethioamide has a molecular weight of 246.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)pentanethioamide is sourced from PubChem (CID 61122650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).