1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one

C11H14ClNO2S — CID 43794378

IUPAC1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C11H14ClNO2S/c1-8(13-4-6-15-7-5-13)11(14)9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3
InChIKeyUEUMVNZCUAJWPM-UHFFFAOYSA-N
MW259.76 g/mol
LogP2.30
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one

1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one (PubChem CID 43794378) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one
PubChem CID43794378
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C11H14ClNO2S/c1-8(13-4-6-15-7-5-13)11(14)9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3
InChIKeyUEUMVNZCUAJWPM-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-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one (CID 43794378) is 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one is CC(C(=O)c1ccc(Cl)s1)N1CCOCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one?
The InChIKey is UEUMVNZCUAJWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2S/c1-8(13-4-6-15-7-5-13)11(14)9-2-3-10(12)16-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one?
1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpropan-1-one 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-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 43794378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).