2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide

C11H23N3O2S2 — CID 61124486

IUPAC2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C11H23N3O2S2/c1-3-11(4-2,10(12)17)13-18(15,16)14-8-6-5-7-9-14/h13H,3-9H2,1-2H3,(H2,12,17)
InChIKeyWFMCNDWAASCAAS-UHFFFAOYSA-N
MW293.46 g/mol
LogP1.15
Rot. Bonds6

About 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide

2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide (PubChem CID 61124486) has the molecular formula C11H23N3O2S2 and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide.

Molecular Properties

Compound Name2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
PubChem CID61124486
Molecular FormulaC11H23N3O2S2
Molecular Weight293.46 g/mol
Exact Mass293.12
IUPAC Name2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide
SMILESCCC(CC)(NS(=O)(=O)N1CCCCC1)C(N)=S
InChIInChI=1S/C11H23N3O2S2/c1-3-11(4-2,10(12)17)13-18(15,16)14-8-6-5-7-9-14/h13H,3-9H2,1-2H3,(H2,12,17)
InChIKeyWFMCNDWAASCAAS-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(piperidin-1-ylsulfonylamino)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

N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
1-Methyl-4-(2,2,2-trifluoroethylsulfamoylamino)piperidine-4-carbothioamide
CID 114808187
N-(2-methylbutan-2-yl)piperidine-1-sulfonamide
CID 126657702
3-[Methyl-(4-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 28785103
3-[Methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 28785106
1-(Dimethylsulfamoyl)piperidine-4-carbothioamide
CID 39354987
3-[Methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 43210887
2-Ethyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanethioamide
CID 54947202
3-[Ethyl-(4-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987328
3-[Ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-2-methylpropanethioamide
CID 54987376
3-[Ethyl(piperidin-1-ylsulfonyl)amino]-2-methylpropanethioamide
CID 54988018
2-Methyl-3-[methyl(piperidin-1-ylsulfonyl)amino]propanethioamide
CID 54991773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
The IUPAC name of 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide (CID 61124486) is 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide.
What is the SMILES notation for 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
The canonical SMILES for 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide is CCC(CC)(NS(=O)(=O)N1CCCCC1)C(N)=S.
What is the InChIKey of 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
The InChIKey is WFMCNDWAASCAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S2/c1-3-11(4-2,10(12)17)13-18(15,16)14-8-6-5-7-9-14/h13H,3-9H2,1-2H3,(H2,12,17).
What are the key properties of 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide?
2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide has a molecular weight of 293.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(piperidin-1-ylsulfonylamino)butanethioamide is sourced from PubChem (CID 61124486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).