3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C11H11NO3S — CID 106436283

IUPAC3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CC(O)c1ccsc1
InChIInChI=1S/C11H11NO3S/c13-9(6-1-2-16-5-6)4-12-10(14)7-3-8(7)11(12)15/h1-2,5,7-9,13H,3-4H2
InChIKeyPXBUNGTZYMGCSG-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.79
Rot. Bonds3

About 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 106436283) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID106436283
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESO=C1C2CC2C(=O)N1CC(O)c1ccsc1
InChIInChI=1S/C11H11NO3S/c13-9(6-1-2-16-5-6)4-12-10(14)7-3-8(7)11(12)15/h1-2,5,7-9,13H,3-4H2
InChIKeyPXBUNGTZYMGCSG-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione 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-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol
CID 106436295
N-cyclopropyl-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435052
3-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-2-phenylpropanoic acid
CID 54772530
(3aR,7aR)-2-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 100841976
(3aR,7aR)-2-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 124786608
3-amino-1-thiophen-3-ylpropan-1-ol
CID 65185005
2-(2-bicyclo[2.2.1]heptanyl)-1-thiophen-3-ylethanol
CID 79559068
3-(3-bromo-2-phenylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 65014705
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
N-(cyclopropylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]acetamide
CID 106435169
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
5-methyl-1-thiophen-3-ylhexan-1-ol
CID 83158063

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 106436283) is 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is O=C1C2CC2C(=O)N1CC(O)c1ccsc1.
What is the InChIKey of 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is PXBUNGTZYMGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-9(6-1-2-16-5-6)4-12-10(14)7-3-8(7)11(12)15/h1-2,5,7-9,13H,3-4H2.
What are the key properties of 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 237.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2-thiophen-3-ylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 106436283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).