4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione

C11H10ClNO3S — CID 2732653

IUPAC4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CSCC1=O
InChIInChI=1S/C11H10ClNO3S/c1-16-9-3-2-7(12)4-8(9)13-10(14)5-17-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyWBORHIQTGATRCD-UHFFFAOYSA-N
MW271.72 g/mol
LogP1.96
Rot. Bonds2

About 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione

4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione (PubChem CID 2732653) has the molecular formula C11H10ClNO3S and a molecular weight of 271.72 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione
PubChem CID2732653
Molecular FormulaC11H10ClNO3S
Molecular Weight271.72 g/mol
Exact Mass271.01
IUPAC Name4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CSCC1=O
InChIInChI=1S/C11H10ClNO3S/c1-16-9-3-2-7(12)4-8(9)13-10(14)5-17-6-11(13)15/h2-4H,5-6H2,1H3
InChIKeyWBORHIQTGATRCD-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione (CID 2732653) is 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione is COc1ccc(Cl)cc1N1C(=O)CSCC1=O.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione?
The InChIKey is WBORHIQTGATRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-16-9-3-2-7(12)4-8(9)13-10(14)5-17-6-11(13)15/h2-4H,5-6H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione?
4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione has a molecular weight of 271.72 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)thiomorpholine-3,5-dione is sourced from PubChem (CID 2732653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).