(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C11H13Cl2NO3S — CID 103799640

IUPAC(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-6-5-17-7(4-15)3-14(6)11(16)8-2-9(12)18-10(8)13/h2,6-7,15H,3-5H2,1H3
InChIKeyGRUVFLWUPMJMTQ-UHFFFAOYSA-N
MW310.20 g/mol
LogP2.28
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 103799640) has the molecular formula C11H13Cl2NO3S and a molecular weight of 310.20 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID103799640
Molecular FormulaC11H13Cl2NO3S
Molecular Weight310.20 g/mol
Exact Mass309.00
IUPAC Name(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCC1COC(CO)CN1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H13Cl2NO3S/c1-6-5-17-7(4-15)3-14(6)11(16)8-2-9(12)18-10(8)13/h2,6-7,15H,3-5H2,1H3
InChIKeyGRUVFLWUPMJMTQ-UHFFFAOYSA-N
XLogP2.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 103799640) is (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CC1COC(CO)CN1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is GRUVFLWUPMJMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO3S/c1-6-5-17-7(4-15)3-14(6)11(16)8-2-9(12)18-10(8)13/h2,6-7,15H,3-5H2,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 310.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 103799640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).