1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone

C11H14ClNO2S — CID 43794569

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C11H14ClNO2S/c1-8-6-13(4-5-15-8)7-9(14)10-2-3-11(12)16-10/h2-3,8H,4-7H2,1H3
InChIKeyCPBTWFBJRFGVAQ-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.30
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone (PubChem CID 43794569) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone
PubChem CID43794569
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(CC(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C11H14ClNO2S/c1-8-6-13(4-5-15-8)7-9(14)10-2-3-11(12)16-10/h2-3,8H,4-7H2,1H3
InChIKeyCPBTWFBJRFGVAQ-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone (CID 43794569) is 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone is CC1CN(CC(=O)c2ccc(Cl)s2)CCO1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is CPBTWFBJRFGVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-8-6-13(4-5-15-8)7-9(14)10-2-3-11(12)16-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 259.76 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43794569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).