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

C11H14ClNO2S — CID 103403190

IUPAC(3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2scc(C)c2Cl)C1
InChIInChI=1S/C11H14ClNO2S/c1-3-11(15)5-13(6-11)10(14)9-8(12)7(2)4-16-9/h4,15H,3,5-6H2,1-2H3
InChIKeyDSPQWXPSQWNGGM-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.31
Rot. Bonds2

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

(3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (PubChem CID 103403190) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
PubChem CID103403190
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
SMILESCCC1(O)CN(C(=O)c2scc(C)c2Cl)C1
InChIInChI=1S/C11H14ClNO2S/c1-3-11(15)5-13(6-11)10(14)9-8(12)7(2)4-16-9/h4,15H,3,5-6H2,1-2H3
InChIKeyDSPQWXPSQWNGGM-UHFFFAOYSA-N
XLogP2.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 103403204
(4-aminopiperidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103403494
[4-(1-chloroethyl)piperidin-1-yl]-(3-chloro-4-methylthiophen-2-yl)methanone
CID 106838953
(3-amino-4-methylpyrrolidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103576097
(3-chloro-4-methylthiophen-2-yl)-(1,4-diazepan-1-yl)methanone
CID 103399757
(3-chloro-4-methylthiophen-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103403243
methyl 3-[4-(3-chloro-4-methylthiophene-2-carbonyl)piperazin-1-yl]propanoate
CID 103404033
1-(3-chloro-4-methylthiophene-2-carbonyl)-N'-hydroxy-4-methylsulfanylpiperidine-4-carboximidamide
CID 103405034
(4-bromo-3-methylpiperidin-1-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103406247
[(3S)-1-(3-chloro-4-methylthiophene-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
CID 164631279
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
(3,5-dibromophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107973077

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone (CID 103403190) is (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is CCC1(O)CN(C(=O)c2scc(C)c2Cl)C1.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
The InChIKey is DSPQWXPSQWNGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-3-11(15)5-13(6-11)10(14)9-8(12)7(2)4-16-9/h4,15H,3,5-6H2,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone?
(3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone has a molecular weight of 259.76 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 103403190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).