2-(ethylsulfonylamino)ethanethioamide

C4H10N2O2S2 — CID 61127874

IUPAC2-(ethylsulfonylamino)ethanethioamide
SMILESCCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C4H10N2O2S2/c1-2-10(7,8)6-3-4(5)9/h6H,2-3H2,1H3,(H2,5,9)
InChIKeyQIVNUYGVZMUPAM-UHFFFAOYSA-N
MW182.27 g/mol
LogP-0.79
Rot. Bonds4

About 2-(ethylsulfonylamino)ethanethioamide

2-(ethylsulfonylamino)ethanethioamide (PubChem CID 61127874) has the molecular formula C4H10N2O2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)ethanethioamide
PubChem CID61127874
Molecular FormulaC4H10N2O2S2
Molecular Weight182.27 g/mol
Exact Mass182.02
IUPAC Name2-(ethylsulfonylamino)ethanethioamide
SMILESCCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C4H10N2O2S2/c1-2-10(7,8)6-3-4(5)9/h6H,2-3H2,1H3,(H2,5,9)
InChIKeyQIVNUYGVZMUPAM-UHFFFAOYSA-N
XLogP-0.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 5-0.79
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-(ethylsulfonylamino)ethanethioamide?
The IUPAC name of 2-(ethylsulfonylamino)ethanethioamide (CID 61127874) is 2-(ethylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-(ethylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-(ethylsulfonylamino)ethanethioamide is CCS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(ethylsulfonylamino)ethanethioamide?
The InChIKey is QIVNUYGVZMUPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2S2/c1-2-10(7,8)6-3-4(5)9/h6H,2-3H2,1H3,(H2,5,9).
What are the key properties of 2-(ethylsulfonylamino)ethanethioamide?
2-(ethylsulfonylamino)ethanethioamide has a molecular weight of 182.27 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)ethanethioamide is sourced from PubChem (CID 61127874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).