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

C13H18ClNO2S — CID 13019238

IUPAC1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C13H18ClNO2S/c1-2-3-10(15-6-8-17-9-7-15)13(16)11-4-5-12(14)18-11/h4-5,10H,2-3,6-9H2,1H3
InChIKeyVLWVAAWTRJBXKF-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.09
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one (PubChem CID 13019238) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one
PubChem CID13019238
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one
SMILESCCCC(C(=O)c1ccc(Cl)s1)N1CCOCC1
InChIInChI=1S/C13H18ClNO2S/c1-2-3-10(15-6-8-17-9-7-15)13(16)11-4-5-12(14)18-11/h4-5,10H,2-3,6-9H2,1H3
InChIKeyVLWVAAWTRJBXKF-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.09
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-ylpentan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one (CID 13019238) is 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one is CCCC(C(=O)c1ccc(Cl)s1)N1CCOCC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one?
The InChIKey is VLWVAAWTRJBXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-2-3-10(15-6-8-17-9-7-15)13(16)11-4-5-12(14)18-11/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one?
1-(5-chlorothiophen-2-yl)-2-morpholin-4-ylpentan-1-one has a molecular weight of 287.81 g/mol, XLogP of 3.09, 5 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-ylpentan-1-one is sourced from PubChem (CID 13019238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).