1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one

C12H16ClNO2S — CID 43794535

IUPAC1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C12H16ClNO2S/c1-8-7-14(5-6-16-8)9(2)12(15)10-3-4-11(13)17-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyVQXXWXRQKJBKEI-UHFFFAOYSA-N
MW273.79 g/mol
LogP2.69
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one (PubChem CID 43794535) has the molecular formula C12H16ClNO2S and a molecular weight of 273.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
PubChem CID43794535
Molecular FormulaC12H16ClNO2S
Molecular Weight273.79 g/mol
Exact Mass273.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(C)C(=O)c2ccc(Cl)s2)CCO1
InChIInChI=1S/C12H16ClNO2S/c1-8-7-14(5-6-16-8)9(2)12(15)10-3-4-11(13)17-10/h3-4,8-9H,5-7H2,1-2H3
InChIKeyVQXXWXRQKJBKEI-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 52.69
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)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one (CID 43794535) is 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one is CC1CN(C(C)C(=O)c2ccc(Cl)s2)CCO1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one?
The InChIKey is VQXXWXRQKJBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c1-8-7-14(5-6-16-8)9(2)12(15)10-3-4-11(13)17-10/h3-4,8-9H,5-7H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(2-methylmorpholin-4-yl)propan-1-one has a molecular weight of 273.79 g/mol, XLogP of 2.69, 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)propan-1-one is sourced from PubChem (CID 43794535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).