4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid

C10H15NO4S — CID 142868990

IUPAC4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid
SMILESO=C(O)CCCSCN1C(=O)CCCC1=O
InChIInChI=1S/C10H15NO4S/c12-8-3-1-4-9(13)11(8)7-16-6-2-5-10(14)15/h1-7H2,(H,14,15)
InChIKeySOXVBGFLMUMYSI-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.08
Rot. Bonds6

About 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid

4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid (PubChem CID 142868990) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid.

Molecular Properties

Compound Name4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid
PubChem CID142868990
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid
SMILESO=C(O)CCCSCN1C(=O)CCCC1=O
InChIInChI=1S/C10H15NO4S/c12-8-3-1-4-9(13)11(8)7-16-6-2-5-10(14)15/h1-7H2,(H,14,15)
InChIKeySOXVBGFLMUMYSI-UHFFFAOYSA-N
XLogP1.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid?
The IUPAC name of 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid (CID 142868990) is 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid.
What is the SMILES notation for 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid?
The canonical SMILES for 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid is O=C(O)CCCSCN1C(=O)CCCC1=O.
What is the InChIKey of 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid?
The InChIKey is SOXVBGFLMUMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-8-3-1-4-9(13)11(8)7-16-6-2-5-10(14)15/h1-7H2,(H,14,15).
What are the key properties of 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid?
4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid has a molecular weight of 245.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dioxopiperidin-1-yl)methylsulfanyl]butanoic acid is sourced from PubChem (CID 142868990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).