2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

C14H24N2O3S — CID 62273014

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCS(=O)(=O)C1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H24N2O3S/c17-14(9-11-5-8-20(18,19)10-11)16-7-2-4-13(16)12-3-1-6-15-12/h11-13,15H,1-10H2
InChIKeyORXQISVPLLGZKJ-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.55
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 62273014) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID62273014
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCS(=O)(=O)C1)N1CCCC1C1CCCN1
InChIInChI=1S/C14H24N2O3S/c17-14(9-11-5-8-20(18,19)10-11)16-7-2-4-13(16)12-3-1-6-15-12/h11-13,15H,1-10H2
InChIKeyORXQISVPLLGZKJ-UHFFFAOYSA-N
XLogP0.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55168982
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CID 55172569
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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (CID 62273014) is 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is O=C(CC1CCS(=O)(=O)C1)N1CCCC1C1CCCN1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is ORXQISVPLLGZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c17-14(9-11-5-8-20(18,19)10-11)16-7-2-4-13(16)12-3-1-6-15-12/h11-13,15H,1-10H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 300.42 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62273014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).