(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

C11H16N2O2S — CID 107210666

IUPAC(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2cc(N)c(C)s2)C1
InChIInChI=1S/C11H16N2O2S/c1-3-11(15)5-13(6-11)10(14)9-4-8(12)7(2)16-9/h4,15H,3,5-6,12H2,1-2H3
InChIKeyNSFQSVSUMLEWSG-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.24
Rot. Bonds2

About (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone

(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 107210666) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID107210666
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2cc(N)c(C)s2)C1
InChIInChI=1S/C11H16N2O2S/c1-3-11(15)5-13(6-11)10(14)9-4-8(12)7(2)16-9/h4,15H,3,5-6,12H2,1-2H3
InChIKeyNSFQSVSUMLEWSG-UHFFFAOYSA-N
XLogP1.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 107210666) is (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2cc(N)c(C)s2)C1.
What is the InChIKey of (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is NSFQSVSUMLEWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-11(15)5-13(6-11)10(14)9-4-8(12)7(2)16-9/h4,15H,3,5-6,12H2,1-2H3.
What are the key properties of (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 107210666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).