2-(propylsulfonylamino)ethanethioamide

C5H12N2O2S2 — CID 61127871

IUPAC2-(propylsulfonylamino)ethanethioamide
SMILESCCCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-2-3-11(8,9)7-4-5(6)10/h7H,2-4H2,1H3,(H2,6,10)
InChIKeyFGYIVIIATLEXLH-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.40
Rot. Bonds5

About 2-(propylsulfonylamino)ethanethioamide

2-(propylsulfonylamino)ethanethioamide (PubChem CID 61127871) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(propylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-(propylsulfonylamino)ethanethioamide
PubChem CID61127871
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Name2-(propylsulfonylamino)ethanethioamide
SMILESCCCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-2-3-11(8,9)7-4-5(6)10/h7H,2-4H2,1H3,(H2,6,10)
InChIKeyFGYIVIIATLEXLH-UHFFFAOYSA-N
XLogP-0.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)ethanethioamide?
The IUPAC name of 2-(propylsulfonylamino)ethanethioamide (CID 61127871) is 2-(propylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-(propylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-(propylsulfonylamino)ethanethioamide is CCCS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(propylsulfonylamino)ethanethioamide?
The InChIKey is FGYIVIIATLEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2/c1-2-3-11(8,9)7-4-5(6)10/h7H,2-4H2,1H3,(H2,6,10).
What are the key properties of 2-(propylsulfonylamino)ethanethioamide?
2-(propylsulfonylamino)ethanethioamide has a molecular weight of 196.30 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61127871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).