2-(propan-2-ylsulfonylamino)ethanethioamide

C5H12N2O2S2 — CID 61127687

IUPAC2-(propan-2-ylsulfonylamino)ethanethioamide
SMILESCC(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-4(2)11(8,9)7-3-5(6)10/h4,7H,3H2,1-2H3,(H2,6,10)
InChIKeyHQLSYPZLOSJJLP-UHFFFAOYSA-N
MW196.30 g/mol
LogP-0.40
Rot. Bonds4

About 2-(propan-2-ylsulfonylamino)ethanethioamide

2-(propan-2-ylsulfonylamino)ethanethioamide (PubChem CID 61127687) has the molecular formula C5H12N2O2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-(propan-2-ylsulfonylamino)ethanethioamide
PubChem CID61127687
Molecular FormulaC5H12N2O2S2
Molecular Weight196.30 g/mol
Exact Mass196.03
IUPAC Name2-(propan-2-ylsulfonylamino)ethanethioamide
SMILESCC(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C5H12N2O2S2/c1-4(2)11(8,9)7-3-5(6)10/h4,7H,3H2,1-2H3,(H2,6,10)
InChIKeyHQLSYPZLOSJJLP-UHFFFAOYSA-N
XLogP-0.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(propan-2-ylsulfonylamino)ethanethioamide?
The IUPAC name of 2-(propan-2-ylsulfonylamino)ethanethioamide (CID 61127687) is 2-(propan-2-ylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-(propan-2-ylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-(propan-2-ylsulfonylamino)ethanethioamide is CC(C)S(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(propan-2-ylsulfonylamino)ethanethioamide?
The InChIKey is HQLSYPZLOSJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S2/c1-4(2)11(8,9)7-3-5(6)10/h4,7H,3H2,1-2H3,(H2,6,10).
What are the key properties of 2-(propan-2-ylsulfonylamino)ethanethioamide?
2-(propan-2-ylsulfonylamino)ethanethioamide has a molecular weight of 196.30 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61127687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).