(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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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).