1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one

C13H18ClNO2S — CID 43794456

IUPAC1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)s2)CC(C)O1
InChIInChI=1S/C13H18ClNO2S/c1-8-6-15(7-9(2)17-8)10(3)13(16)11-4-5-12(14)18-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZEVIHAZMQVDQIF-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.08
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 43794456) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID43794456
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)s2)CC(C)O1
InChIInChI=1S/C13H18ClNO2S/c1-8-6-15(7-9(2)17-8)10(3)13(16)11-4-5-12(14)18-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZEVIHAZMQVDQIF-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.08
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-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 43794456) is 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(C)C(=O)c2ccc(Cl)s2)CC(C)O1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is ZEVIHAZMQVDQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c1-8-6-15(7-9(2)17-8)10(3)13(16)11-4-5-12(14)18-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 287.81 g/mol, XLogP of 3.08, 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-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 43794456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).