4-(difluoromethylsulfonylamino)butanethioamide

C5H10F2N2O2S2 — CID 62667364

IUPAC4-(difluoromethylsulfonylamino)butanethioamide
SMILESNC(=S)CCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H10F2N2O2S2/c6-5(7)13(10,11)9-3-1-2-4(8)12/h5,9H,1-3H2,(H2,8,12)
InChIKeyINUHBVXRAOBICE-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.19
Rot. Bonds6

About 4-(difluoromethylsulfonylamino)butanethioamide

4-(difluoromethylsulfonylamino)butanethioamide (PubChem CID 62667364) has the molecular formula C5H10F2N2O2S2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonylamino)butanethioamide
PubChem CID62667364
Molecular FormulaC5H10F2N2O2S2
Molecular Weight232.28 g/mol
Exact Mass232.02
IUPAC Name4-(difluoromethylsulfonylamino)butanethioamide
SMILESNC(=S)CCCNS(=O)(=O)C(F)F
InChIInChI=1S/C5H10F2N2O2S2/c6-5(7)13(10,11)9-3-1-2-4(8)12/h5,9H,1-3H2,(H2,8,12)
InChIKeyINUHBVXRAOBICE-UHFFFAOYSA-N
XLogP0.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonylamino)butanethioamide?
The IUPAC name of 4-(difluoromethylsulfonylamino)butanethioamide (CID 62667364) is 4-(difluoromethylsulfonylamino)butanethioamide.
What is the SMILES notation for 4-(difluoromethylsulfonylamino)butanethioamide?
The canonical SMILES for 4-(difluoromethylsulfonylamino)butanethioamide is NC(=S)CCCNS(=O)(=O)C(F)F.
What is the InChIKey of 4-(difluoromethylsulfonylamino)butanethioamide?
The InChIKey is INUHBVXRAOBICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2O2S2/c6-5(7)13(10,11)9-3-1-2-4(8)12/h5,9H,1-3H2,(H2,8,12).
What are the key properties of 4-(difluoromethylsulfonylamino)butanethioamide?
4-(difluoromethylsulfonylamino)butanethioamide has a molecular weight of 232.28 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylamino)butanethioamide is sourced from PubChem (CID 62667364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).