2,3-dihydroxy-N-(thiolan-3-yl)benzamide

C11H13NO3S — CID 103063299

IUPAC2,3-dihydroxy-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cccc(O)c1O
InChIInChI=1S/C11H13NO3S/c13-9-3-1-2-8(10(9)14)11(15)12-7-4-5-16-6-7/h1-3,7,13-14H,4-6H2,(H,12,15)
InChIKeyJLULPOGAJATHLI-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.33
Rot. Bonds2

About 2,3-dihydroxy-N-(thiolan-3-yl)benzamide

2,3-dihydroxy-N-(thiolan-3-yl)benzamide (PubChem CID 103063299) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(thiolan-3-yl)benzamide
PubChem CID103063299
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2,3-dihydroxy-N-(thiolan-3-yl)benzamide
SMILESO=C(NC1CCSC1)c1cccc(O)c1O
InChIInChI=1S/C11H13NO3S/c13-9-3-1-2-8(10(9)14)11(15)12-7-4-5-16-6-7/h1-3,7,13-14H,4-6H2,(H,12,15)
InChIKeyJLULPOGAJATHLI-UHFFFAOYSA-N
XLogP1.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2,3-dihydroxy-N-(thiolan-3-yl)benzamide 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

2,3-dihydroxy-N-(4-hydroxycyclohexyl)benzamide
CID 104966719
2-hydroxy-5-iodo-N-(thiolan-3-yl)benzamide
CID 103711939
3-(3-aminoprop-1-ynyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 103064460
3-nitro-2-(propylamino)-N-(thiolan-3-yl)benzamide
CID 103064779
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
2-amino-6-chloro-N-(thiolan-3-yl)benzamide
CID 103062170
2-nitro-3-(propylamino)-N-(thiolan-3-yl)benzamide
CID 103064701
2,3-difluoro-N-(thian-4-yl)benzamide
CID 115605205
3-fluoro-N-(thiolan-3-yl)benzamide
CID 126773687
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
methyl 4-[(2,3-dihydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 114345140
2,3-dihydroxy-N-(4-propylcyclohexyl)benzamide
CID 114344117

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(thiolan-3-yl)benzamide?
The IUPAC name of 2,3-dihydroxy-N-(thiolan-3-yl)benzamide (CID 103063299) is 2,3-dihydroxy-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 2,3-dihydroxy-N-(thiolan-3-yl)benzamide is O=C(NC1CCSC1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-(thiolan-3-yl)benzamide?
The InChIKey is JLULPOGAJATHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-9-3-1-2-8(10(9)14)11(15)12-7-4-5-16-6-7/h1-3,7,13-14H,4-6H2,(H,12,15).
What are the key properties of 2,3-dihydroxy-N-(thiolan-3-yl)benzamide?
2,3-dihydroxy-N-(thiolan-3-yl)benzamide has a molecular weight of 239.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 103063299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).