(2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate

C10H17NO5S — CID 22481408

IUPAC(2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate
SMILESCCCCCCS(=O)(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H17NO5S/c1-2-3-4-5-8-17(14,15)16-11-9(12)6-7-10(11)13/h2-8H2,1H3
InChIKeyLUPDFEBEDJKRKE-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.98
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate

(2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate (PubChem CID 22481408) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate
PubChem CID22481408
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate
SMILESCCCCCCS(=O)(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H17NO5S/c1-2-3-4-5-8-17(14,15)16-11-9(12)6-7-10(11)13/h2-8H2,1H3
InChIKeyLUPDFEBEDJKRKE-UHFFFAOYSA-N
XLogP0.98
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate (CID 22481408) is (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate is CCCCCCS(=O)(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate?
The InChIKey is LUPDFEBEDJKRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-2-3-4-5-8-17(14,15)16-11-9(12)6-7-10(11)13/h2-8H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate?
(2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate has a molecular weight of 263.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) hexane-1-sulfonate is sourced from PubChem (CID 22481408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).