4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

C11H23N3O3S — CID 77062138

IUPAC4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNC1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,10(12)14-15)5-6-13-9-3-7-18(16,17)8-4-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyXBPLEHOLZXSAMD-UHFFFAOYSA-N
MW277.39 g/mol
LogP0.32
Rot. Bonds5

About 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide

4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (PubChem CID 77062138) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
PubChem CID77062138
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC Name4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
SMILESCC(C)(CCNC1CCS(=O)(=O)CC1)C(N)=NO
InChIInChI=1S/C11H23N3O3S/c1-11(2,10(12)14-15)5-6-13-9-3-7-18(16,17)8-4-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyXBPLEHOLZXSAMD-UHFFFAOYSA-N
XLogP0.32
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide 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 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide (CID 77062138) is 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is CC(C)(CCNC1CCS(=O)(=O)CC1)C(N)=NO.
What is the InChIKey of 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
The InChIKey is XBPLEHOLZXSAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-11(2,10(12)14-15)5-6-13-9-3-7-18(16,17)8-4-9/h9,13,15H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide?
4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide has a molecular weight of 277.39 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-4-yl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77062138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).