(3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone

C9H12N2O2S — CID 130748056

IUPAC(3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone
SMILESCNc1ccc(C(=O)N2CC(O)C2)s1
InChIInChI=1S/C9H12N2O2S/c1-10-8-3-2-7(14-8)9(13)11-4-6(12)5-11/h2-3,6,10,12H,4-5H2,1H3
InChIKeyUWDKAVBCASCUPA-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.61
Rot. Bonds2

About (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone

(3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone (PubChem CID 130748056) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone
PubChem CID130748056
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name(3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone
SMILESCNc1ccc(C(=O)N2CC(O)C2)s1
InChIInChI=1S/C9H12N2O2S/c1-10-8-3-2-7(14-8)9(13)11-4-6(12)5-11/h2-3,6,10,12H,4-5H2,1H3
InChIKeyUWDKAVBCASCUPA-UHFFFAOYSA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-hydroxypiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 43415885
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 114679938
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594
(3,4-dihydroxypyrrolidin-1-yl)-(5-propan-2-ylthiophen-2-yl)methanone
CID 59611641
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)thiophene-2-carboxylic acid
CID 119186671
1-[6-hydroxy-4-[5-(methoxymethyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 74241719
(5-ethylthiophen-2-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224288
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
(3-hydroxyazetidin-1-yl)-(5-methyl-4-propylthiophen-2-yl)methanone
CID 63107136

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone (CID 130748056) is (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone is CNc1ccc(C(=O)N2CC(O)C2)s1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone?
The InChIKey is UWDKAVBCASCUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-10-8-3-2-7(14-8)9(13)11-4-6(12)5-11/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone?
(3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone has a molecular weight of 212.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone is sourced from PubChem (CID 130748056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).