(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate

C11H17NO4S2 — CID 11709084

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate
SMILESCSSC(C)(C)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO4S2/c1-11(2,18-17-3)7-6-10(15)16-12-8(13)4-5-9(12)14/h4-7H2,1-3H3
InChIKeyUIUQQGXZEMJNCH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.16
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate

(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate (PubChem CID 11709084) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate
PubChem CID11709084
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate
SMILESCSSC(C)(C)CCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C11H17NO4S2/c1-11(2,18-17-3)7-6-10(15)16-12-8(13)4-5-9(12)14/h4-7H2,1-3H3
InChIKeyUIUQQGXZEMJNCH-UHFFFAOYSA-N
XLogP2.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate (CID 11709084) is (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate is CSSC(C)(C)CCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate?
The InChIKey is UIUQQGXZEMJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-11(2,18-17-3)7-6-10(15)16-12-8(13)4-5-9(12)14/h4-7H2,1-3H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate?
(2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate has a molecular weight of 291.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-methyl-4-(methyldisulfanyl)pentanoate is sourced from PubChem (CID 11709084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).