(2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone

C11H11Cl2NOS — CID 2804978

IUPAC(2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCSCC1
InChIInChI=1S/C11H11Cl2NOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyOYOGJQGORQTEEN-UHFFFAOYSA-N
MW276.19 g/mol
LogP3.18
Rot. Bonds1

About (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone

(2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone (PubChem CID 2804978) has the molecular formula C11H11Cl2NOS and a molecular weight of 276.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone
PubChem CID2804978
Molecular FormulaC11H11Cl2NOS
Molecular Weight276.19 g/mol
Exact Mass274.99
IUPAC Name(2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCSCC1
InChIInChI=1S/C11H11Cl2NOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKeyOYOGJQGORQTEEN-UHFFFAOYSA-N
XLogP3.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone (CID 2804978) is (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone is O=C(c1ccc(Cl)cc1Cl)N1CCSCC1.
What is the InChIKey of (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone?
The InChIKey is OYOGJQGORQTEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NOS/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2.
What are the key properties of (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone?
(2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone has a molecular weight of 276.19 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 2804978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).