2-(methanesulfonamido)ethanethioamide

C3H8N2O2S2 — CID 61127309

IUPAC2-(methanesulfonamido)ethanethioamide
SMILESCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C3H8N2O2S2/c1-9(6,7)5-2-3(4)8/h5H,2H2,1H3,(H2,4,8)
InChIKeyCNEKNYGBPDJEGT-UHFFFAOYSA-N
MW168.24 g/mol
LogP-1.18
Rot. Bonds3

About 2-(methanesulfonamido)ethanethioamide

2-(methanesulfonamido)ethanethioamide (PubChem CID 61127309) has the molecular formula C3H8N2O2S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(methanesulfonamido)ethanethioamide.

Molecular Properties

Compound Name2-(methanesulfonamido)ethanethioamide
PubChem CID61127309
Molecular FormulaC3H8N2O2S2
Molecular Weight168.24 g/mol
Exact Mass168.00
IUPAC Name2-(methanesulfonamido)ethanethioamide
SMILESCS(=O)(=O)NCC(N)=S
InChIInChI=1S/C3H8N2O2S2/c1-9(6,7)5-2-3(4)8/h5H,2H2,1H3,(H2,4,8)
InChIKeyCNEKNYGBPDJEGT-UHFFFAOYSA-N
XLogP-1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(methanesulfonamido)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-(methanesulfonamido)ethanethioamide?
The IUPAC name of 2-(methanesulfonamido)ethanethioamide (CID 61127309) is 2-(methanesulfonamido)ethanethioamide.
What is the SMILES notation for 2-(methanesulfonamido)ethanethioamide?
The canonical SMILES for 2-(methanesulfonamido)ethanethioamide is CS(=O)(=O)NCC(N)=S.
What is the InChIKey of 2-(methanesulfonamido)ethanethioamide?
The InChIKey is CNEKNYGBPDJEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2S2/c1-9(6,7)5-2-3(4)8/h5H,2H2,1H3,(H2,4,8).
What are the key properties of 2-(methanesulfonamido)ethanethioamide?
2-(methanesulfonamido)ethanethioamide has a molecular weight of 168.24 g/mol, XLogP of -1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)ethanethioamide is sourced from PubChem (CID 61127309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).