2-(ethylsulfonylamino)butanethioamide

C6H14N2O2S2 — CID 61123448

IUPAC2-(ethylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)CC)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-3-5(6(7)11)8-12(9,10)4-2/h5,8H,3-4H2,1-2H3,(H2,7,11)
InChIKeyDGMQAXJAURGTTO-UHFFFAOYSA-N
MW210.32 g/mol
LogP-0.01
Rot. Bonds5

About 2-(ethylsulfonylamino)butanethioamide

2-(ethylsulfonylamino)butanethioamide (PubChem CID 61123448) has the molecular formula C6H14N2O2S2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)butanethioamide
PubChem CID61123448
Molecular FormulaC6H14N2O2S2
Molecular Weight210.32 g/mol
Exact Mass210.05
IUPAC Name2-(ethylsulfonylamino)butanethioamide
SMILESCCC(NS(=O)(=O)CC)C(N)=S
InChIInChI=1S/C6H14N2O2S2/c1-3-5(6(7)11)8-12(9,10)4-2/h5,8H,3-4H2,1-2H3,(H2,7,11)
InChIKeyDGMQAXJAURGTTO-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(ethylsulfonylamino)butanethioamide 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-(ethylsulfonylamino)butanethioamide?
The IUPAC name of 2-(ethylsulfonylamino)butanethioamide (CID 61123448) is 2-(ethylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-(ethylsulfonylamino)butanethioamide?
The canonical SMILES for 2-(ethylsulfonylamino)butanethioamide is CCC(NS(=O)(=O)CC)C(N)=S.
What is the InChIKey of 2-(ethylsulfonylamino)butanethioamide?
The InChIKey is DGMQAXJAURGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S2/c1-3-5(6(7)11)8-12(9,10)4-2/h5,8H,3-4H2,1-2H3,(H2,7,11).
What are the key properties of 2-(ethylsulfonylamino)butanethioamide?
2-(ethylsulfonylamino)butanethioamide has a molecular weight of 210.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)butanethioamide is sourced from PubChem (CID 61123448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).