4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione

C10H11NO3S — CID 63777407

IUPAC4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione
SMILESCc1ccc(CN2CC(=O)OC(=O)C2)s1
InChIInChI=1S/C10H11NO3S/c1-7-2-3-8(15-7)4-11-5-9(12)14-10(13)6-11/h2-3H,4-6H2,1H3
InChIKeyBZTQVVKFZCWPJP-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.94
Rot. Bonds2

About 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione

4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione (PubChem CID 63777407) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione
PubChem CID63777407
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione
SMILESCc1ccc(CN2CC(=O)OC(=O)C2)s1
InChIInChI=1S/C10H11NO3S/c1-7-2-3-8(15-7)4-11-5-9(12)14-10(13)6-11/h2-3H,4-6H2,1H3
InChIKeyBZTQVVKFZCWPJP-UHFFFAOYSA-N
XLogP0.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione?
The IUPAC name of 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione (CID 63777407) is 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione?
The canonical SMILES for 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione is Cc1ccc(CN2CC(=O)OC(=O)C2)s1.
What is the InChIKey of 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione?
The InChIKey is BZTQVVKFZCWPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-7-2-3-8(15-7)4-11-5-9(12)14-10(13)6-11/h2-3H,4-6H2,1H3.
What are the key properties of 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione?
4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione has a molecular weight of 225.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthiophen-2-yl)methyl]morpholine-2,6-dione is sourced from PubChem (CID 63777407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).