2-ethyl-2-(ethylsulfamoylamino)butanethioamide

C8H19N3O2S2 — CID 114808170

IUPAC2-ethyl-2-(ethylsulfamoylamino)butanethioamide
SMILESCCNS(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-8(5-2,7(9)14)11-15(12,13)10-6-3/h10-11H,4-6H2,1-3H3,(H2,9,14)
InChIKeyIVSMZPBORABUEK-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.28
Rot. Bonds7

About 2-ethyl-2-(ethylsulfamoylamino)butanethioamide

2-ethyl-2-(ethylsulfamoylamino)butanethioamide (PubChem CID 114808170) has the molecular formula C8H19N3O2S2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-ethyl-2-(ethylsulfamoylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(ethylsulfamoylamino)butanethioamide
PubChem CID114808170
Molecular FormulaC8H19N3O2S2
Molecular Weight253.39 g/mol
Exact Mass253.09
IUPAC Name2-ethyl-2-(ethylsulfamoylamino)butanethioamide
SMILESCCNS(=O)(=O)NC(CC)(CC)C(N)=S
InChIInChI=1S/C8H19N3O2S2/c1-4-8(5-2,7(9)14)11-15(12,13)10-6-3/h10-11H,4-6H2,1-3H3,(H2,9,14)
InChIKeyIVSMZPBORABUEK-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(ethylsulfamoylamino)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-ethyl-2-(ethylsulfamoylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(ethylsulfamoylamino)butanethioamide (CID 114808170) is 2-ethyl-2-(ethylsulfamoylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(ethylsulfamoylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(ethylsulfamoylamino)butanethioamide is CCNS(=O)(=O)NC(CC)(CC)C(N)=S.
What is the InChIKey of 2-ethyl-2-(ethylsulfamoylamino)butanethioamide?
The InChIKey is IVSMZPBORABUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S2/c1-4-8(5-2,7(9)14)11-15(12,13)10-6-3/h10-11H,4-6H2,1-3H3,(H2,9,14).
What are the key properties of 2-ethyl-2-(ethylsulfamoylamino)butanethioamide?
2-ethyl-2-(ethylsulfamoylamino)butanethioamide has a molecular weight of 253.39 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylsulfamoylamino)butanethioamide is sourced from PubChem (CID 114808170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).