1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one

C12H18N2O4S — CID 21204377

IUPAC1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CS(=O)(=O)CC1N1CCCC1=O
InChIInChI=1S/C12H18N2O4S/c15-11-3-1-5-13(11)9-7-19(17,18)8-10(9)14-6-2-4-12(14)16/h9-10H,1-8H2
InChIKeyKWRPCANVSMNKMY-UHFFFAOYSA-N
MW286.35 g/mol
LogP-0.60
Rot. Bonds2

About 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one

1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one (PubChem CID 21204377) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one
PubChem CID21204377
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CS(=O)(=O)CC1N1CCCC1=O
InChIInChI=1S/C12H18N2O4S/c15-11-3-1-5-13(11)9-7-19(17,18)8-10(9)14-6-2-4-12(14)16/h9-10H,1-8H2
InChIKeyKWRPCANVSMNKMY-UHFFFAOYSA-N
XLogP-0.60
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one (CID 21204377) is 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one is O=C1CCCN1C1CS(=O)(=O)CC1N1CCCC1=O.
What is the InChIKey of 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one?
The InChIKey is KWRPCANVSMNKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c15-11-3-1-5-13(11)9-7-19(17,18)8-10(9)14-6-2-4-12(14)16/h9-10H,1-8H2.
What are the key properties of 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one?
1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one has a molecular weight of 286.35 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-dioxo-4-(2-oxopyrrolidin-1-yl)thiolan-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 21204377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).