2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide

C11H24N2O3S2 — CID 114113863

IUPAC2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide
SMILESCCOCC(NS(=O)(=O)C(CC)C(N)=S)C(C)C
InChIInChI=1S/C11H24N2O3S2/c1-5-10(11(12)17)18(14,15)13-9(8(3)4)7-16-6-2/h8-10,13H,5-7H2,1-4H3,(H2,12,17)
InChIKeyOHUYQELOSHEPKA-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.03
Rot. Bonds9

About 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide

2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide (PubChem CID 114113863) has the molecular formula C11H24N2O3S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide.

Molecular Properties

Compound Name2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide
PubChem CID114113863
Molecular FormulaC11H24N2O3S2
Molecular Weight296.46 g/mol
Exact Mass296.12
IUPAC Name2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide
SMILESCCOCC(NS(=O)(=O)C(CC)C(N)=S)C(C)C
InChIInChI=1S/C11H24N2O3S2/c1-5-10(11(12)17)18(14,15)13-9(8(3)4)7-16-6-2/h8-10,13H,5-7H2,1-4H3,(H2,12,17)
InChIKeyOHUYQELOSHEPKA-UHFFFAOYSA-N
XLogP1.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-propan-2-yloxyethylsulfamoyl)butanethioamide
CID 104761749
1-amino-1-sulfanylidenebutane-2-sulfonic acid
CID 151185934
(1-ethoxy-3-methylbutan-2-yl)hydrazine
CID 105199529
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
2-(propan-2-ylsulfonylamino)butanethioamide
CID 61122844
N-(1-ethoxy-3-methylbutan-2-yl)-2-(hydroxymethyl)benzenesulfonamide
CID 106002518
4-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 103223772
1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943
2-(7-methyloctylsulfamoyl)butanethioamide
CID 107815257
N-(1-ethoxy-3-methylbutan-2-yl)-5-(hydroxymethyl)thiophene-2-sulfonamide
CID 106002536
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 103270413
N-(1-ethoxy-3-methylbutan-2-yl)-2-methoxypropanamide
CID 103274835

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide?
The IUPAC name of 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide (CID 114113863) is 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide.
What is the SMILES notation for 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide?
The canonical SMILES for 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide is CCOCC(NS(=O)(=O)C(CC)C(N)=S)C(C)C.
What is the InChIKey of 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide?
The InChIKey is OHUYQELOSHEPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S2/c1-5-10(11(12)17)18(14,15)13-9(8(3)4)7-16-6-2/h8-10,13H,5-7H2,1-4H3,(H2,12,17).
What are the key properties of 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide?
2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide has a molecular weight of 296.46 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxy-3-methylbutan-2-yl)sulfamoyl]butanethioamide is sourced from PubChem (CID 114113863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).