3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine

C11H18N2O5S — CID 163973889

IUPAC3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine
SMILESCC(=O)CCN(CCN1C(=O)CC(C)C1=O)S(=O)O
InChIInChI=1S/C11H18N2O5S/c1-8-7-10(15)13(11(8)16)6-5-12(19(17)18)4-3-9(2)14/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyQLFBLDSTMFGVSY-UHFFFAOYSA-N
MW290.34 g/mol
LogP-0.20
Rot. Bonds7

About 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine

3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine (PubChem CID 163973889) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine.

Molecular Properties

Compound Name3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine
PubChem CID163973889
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Name3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine
SMILESCC(=O)CCN(CCN1C(=O)CC(C)C1=O)S(=O)O
InChIInChI=1S/C11H18N2O5S/c1-8-7-10(15)13(11(8)16)6-5-12(19(17)18)4-3-9(2)14/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyQLFBLDSTMFGVSY-UHFFFAOYSA-N
XLogP-0.20
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine?
The IUPAC name of 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine (CID 163973889) is 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine.
What is the SMILES notation for 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine?
The canonical SMILES for 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine is CC(=O)CCN(CCN1C(=O)CC(C)C1=O)S(=O)O.
What is the InChIKey of 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine?
The InChIKey is QLFBLDSTMFGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-8-7-10(15)13(11(8)16)6-5-12(19(17)18)4-3-9(2)14/h8H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine?
3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine has a molecular weight of 290.34 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dioxo-1-[2-[3-oxobutyl(sulfino)amino]ethyl]pyrrolidine is sourced from PubChem (CID 163973889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).