(2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C11H13Cl2NO2S — CID 47163102

IUPAC(2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)sc2Cl)C(C)CO1
InChIInChI=1S/C11H13Cl2NO2S/c1-6-5-16-7(2)4-14(6)11(15)8-3-9(12)17-10(8)13/h3,6-7H,4-5H2,1-2H3
InChIKeyDAJMKTJVELYGFK-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.30
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 47163102) has the molecular formula C11H13Cl2NO2S and a molecular weight of 294.20 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID47163102
Molecular FormulaC11H13Cl2NO2S
Molecular Weight294.20 g/mol
Exact Mass293.00
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(Cl)sc2Cl)C(C)CO1
InChIInChI=1S/C11H13Cl2NO2S/c1-6-5-16-7(2)4-14(6)11(15)8-3-9(12)17-10(8)13/h3,6-7H,4-5H2,1-2H3
InChIKeyDAJMKTJVELYGFK-UHFFFAOYSA-N
XLogP3.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 47163102) is (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(Cl)sc2Cl)C(C)CO1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is DAJMKTJVELYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO2S/c1-6-5-16-7(2)4-14(6)11(15)8-3-9(12)17-10(8)13/h3,6-7H,4-5H2,1-2H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 294.20 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 47163102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).