(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate

C10H15NO6S — CID 91622342

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate
SMILESCCCCS(=O)(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO6S/c1-2-3-6-18(15,16)7-10(14)17-11-8(12)4-5-9(11)13/h2-7H2,1H3
InChIKeyICBKEMGRAWCEDD-UHFFFAOYSA-N
MW277.30 g/mol
LogP-0.19
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate

(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate (PubChem CID 91622342) has the molecular formula C10H15NO6S and a molecular weight of 277.30 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate
PubChem CID91622342
Molecular FormulaC10H15NO6S
Molecular Weight277.30 g/mol
Exact Mass277.06
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate
SMILESCCCCS(=O)(=O)CC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H15NO6S/c1-2-3-6-18(15,16)7-10(14)17-11-8(12)4-5-9(11)13/h2-7H2,1H3
InChIKeyICBKEMGRAWCEDD-UHFFFAOYSA-N
XLogP-0.19
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-propylsulfonylacetate
CID 91622341
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) propanoate
CID 171533530
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutane-1-sulfonic acid
CID 90296712
(2,5-dioxopyrrolidin-1-yl) 3-oxohexadecanoate
CID 112758569
tributyl-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]phosphanium
CID 102579235
16-(2,5-dioxopyrrolidin-1-yl)oxy-16-oxohexadecane-1-sulfonic acid
CID 71468135
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-propyl pentanedioate
CID 88545010
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
8-O-(2,5-dioxopyrrolidin-1-yl) 1-O-dodecyl octanedioate
CID 176740436
(2,5-dioxopyrrolidin-1-yl) 4-phosphanylbutanoate
CID 88947162
(2,5-dioxopyrrolidin-1-yl) 5-oxoheptanoate
CID 87104242

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate (CID 91622342) is (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate is CCCCS(=O)(=O)CC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate?
The InChIKey is ICBKEMGRAWCEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO6S/c1-2-3-6-18(15,16)7-10(14)17-11-8(12)4-5-9(11)13/h2-7H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate?
(2,5-dioxopyrrolidin-1-yl) 2-butylsulfonylacetate has a molecular weight of 277.30 g/mol, XLogP of -0.19, 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) 2-butylsulfonylacetate is sourced from PubChem (CID 91622342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).