(2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone

C9H9Cl2NO2S — CID 103602517

IUPAC(2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C9H9Cl2NO2S/c10-7-5-6(8(11)15-7)9(13)12-1-3-14-4-2-12/h5H,1-4H2
InChIKeyGTJWKPARTJQONX-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.53
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone

(2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 103602517) has the molecular formula C9H9Cl2NO2S and a molecular weight of 266.15 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID103602517
Molecular FormulaC9H9Cl2NO2S
Molecular Weight266.15 g/mol
Exact Mass264.97
IUPAC Name(2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C9H9Cl2NO2S/c10-7-5-6(8(11)15-7)9(13)12-1-3-14-4-2-12/h5H,1-4H2
InChIKeyGTJWKPARTJQONX-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.53
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)-morpholin-4-ylmethanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone (CID 103602517) is (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone is O=C(c1cc(Cl)sc1Cl)N1CCOCC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is GTJWKPARTJQONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2S/c10-7-5-6(8(11)15-7)9(13)12-1-3-14-4-2-12/h5H,1-4H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone?
(2,5-dichlorothiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 266.15 g/mol, XLogP of 2.53, 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)-morpholin-4-ylmethanone is sourced from PubChem (CID 103602517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).