(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone

C10H13NO3S — CID 81121651

IUPAC(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C10H13NO3S/c1-10(13)5-11(6-10)9(12)8-7(14-2)3-4-15-8/h3-4,13H,5-6H2,1-2H3
InChIKeyFSCAQSYQQCTHET-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.96
Rot. Bonds2

About (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone

(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81121651) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81121651
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CC(C)(O)C1
InChIInChI=1S/C10H13NO3S/c1-10(13)5-11(6-10)9(12)8-7(14-2)3-4-15-8/h3-4,13H,5-6H2,1-2H3
InChIKeyFSCAQSYQQCTHET-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone 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

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methoxythiophen-2-yl)methanone
CID 114779028
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78945788
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
2-[4-(3-methoxythiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 81127305
2,8-diazaspiro[5.5]undecan-2-yl-(3-methoxythiophen-2-yl)methanone
CID 82038139
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290
2-[4-(3-methoxythiophene-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 81122141
2-(3-methoxythiophene-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997209
(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210563
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119484103

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone (CID 81121651) is (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)N1CC(C)(O)C1.
What is the InChIKey of (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is FSCAQSYQQCTHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-10(13)5-11(6-10)9(12)8-7(14-2)3-4-15-8/h3-4,13H,5-6H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone?
(3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 227.28 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylazetidin-1-yl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81121651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).