methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate

C14H21NO4S — CID 66115560

IUPACmethyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate
SMILESCOC(=O)C(C)CSC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C14H21NO4S/c1-9(14(18)19-2)8-20-11-7-12(16)15(13(11)17)10-5-3-4-6-10/h9-11H,3-8H2,1-2H3
InChIKeyJEQHTKQQRWVNOP-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.60
Rot. Bonds5

About methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate

methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate (PubChem CID 66115560) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate
PubChem CID66115560
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Namemethyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate
SMILESCOC(=O)C(C)CSC1CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C14H21NO4S/c1-9(14(18)19-2)8-20-11-7-12(16)15(13(11)17)10-5-3-4-6-10/h9-11H,3-8H2,1-2H3
InChIKeyJEQHTKQQRWVNOP-UHFFFAOYSA-N
XLogP1.60
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate?
The IUPAC name of methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate (CID 66115560) is methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate.
What is the SMILES notation for methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate?
The canonical SMILES for methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate is COC(=O)C(C)CSC1CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate?
The InChIKey is JEQHTKQQRWVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-9(14(18)19-2)8-20-11-7-12(16)15(13(11)17)10-5-3-4-6-10/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate?
methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate has a molecular weight of 299.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-2-methylpropanoate is sourced from PubChem (CID 66115560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).