2-(tert-butylsulfonylamino)ethanethioamide

C6H14N2O2S2 — CID 63689171

IUPAC2-(tert-butylsulfonylamino)ethanethioamide
SMILESCC(C)(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-6(2,3)12(9,10)8-4-5(7)11/h8H,4H2,1-3H3,(H2,7,11)
InChIKeyHTGYTJXBHBGXHG-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.01
Rot. Bonds3

About 2-(tert-butylsulfonylamino)ethanethioamide

2-(tert-butylsulfonylamino)ethanethioamide (PubChem CID 63689171) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(tert-butylsulfonylamino)ethanethioamide.

Molecular Properties

Compound Name2-(tert-butylsulfonylamino)ethanethioamide
PubChem CID63689171
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name2-(tert-butylsulfonylamino)ethanethioamide
SMILESCC(C)(C)S(=O)(=O)NCC(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-6(2,3)12(9,10)8-4-5(7)11/h8H,4H2,1-3H3,(H2,7,11)
InChIKeyHTGYTJXBHBGXHG-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(tert-butylsulfonylamino)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylsulfonylamino)ethanethioamide?
The IUPAC name of 2-(tert-butylsulfonylamino)ethanethioamide (CID 63689171) is 2-(tert-butylsulfonylamino)ethanethioamide.
What is the SMILES notation for 2-(tert-butylsulfonylamino)ethanethioamide?
The canonical SMILES for 2-(tert-butylsulfonylamino)ethanethioamide is CC(C)(C)S(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(tert-butylsulfonylamino)ethanethioamide?
The InChIKey is HTGYTJXBHBGXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-6(2,3)12(9,10)8-4-5(7)11/h8H,4H2,1-3H3,(H2,7,11).
What are the key properties of 2-(tert-butylsulfonylamino)ethanethioamide?
2-(tert-butylsulfonylamino)ethanethioamide has a molecular weight of 210.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylsulfonylamino)ethanethioamide is sourced from PubChem (CID 63689171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).