1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one

C13H17NO4S — CID 3066888

IUPAC1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one
SMILESCCCOC1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H17NO4S/c1-2-10-18-13-9-8-12(15)14(13)19(16,17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyOOJIBZPCRJHTOG-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.75
Rot. Bonds5

About 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one

1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one (PubChem CID 3066888) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one
PubChem CID3066888
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one
SMILESCCCOC1CCC(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C13H17NO4S/c1-2-10-18-13-9-8-12(15)14(13)19(16,17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyOOJIBZPCRJHTOG-UHFFFAOYSA-N
XLogP1.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one?
The IUPAC name of 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one (CID 3066888) is 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one is CCCOC1CCC(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one?
The InChIKey is OOJIBZPCRJHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-2-10-18-13-9-8-12(15)14(13)19(16,17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one?
1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one has a molecular weight of 283.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-propoxypyrrolidin-2-one is sourced from PubChem (CID 3066888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).