[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C12H24N2O5S — CID 168680812

IUPAC[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCOC(CCN1CC(CS(N)(=O)=O)CC1=O)OCC
InChIInChI=1S/C12H24N2O5S/c1-3-18-12(19-4-2)5-6-14-8-10(7-11(14)15)9-20(13,16)17/h10,12H,3-9H2,1-2H3,(H2,13,16,17)
InChIKeyUHWGNSRDPOMYHK-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.09
Rot. Bonds9

About [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680812) has the molecular formula C12H24N2O5S and a molecular weight of 308.40 g/mol. Its IUPAC name is [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680812
Molecular FormulaC12H24N2O5S
Molecular Weight308.40 g/mol
Exact Mass308.14
IUPAC Name[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCOC(CCN1CC(CS(N)(=O)=O)CC1=O)OCC
InChIInChI=1S/C12H24N2O5S/c1-3-18-12(19-4-2)5-6-14-8-10(7-11(14)15)9-20(13,16)17/h10,12H,3-9H2,1-2H3,(H2,13,16,17)
InChIKeyUHWGNSRDPOMYHK-UHFFFAOYSA-N
XLogP-0.09
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717057
[1-(3-ethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680855
[1-(3-methoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681092
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680902
4-(bromomethyl)-1-(2,2-diethoxyethyl)pyrrolidin-2-one
CID 168503820
[5-oxo-1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681920
[1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681654
[1-[4-(4-methylpiperidin-1-yl)butyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680737
[1-(3-amino-2-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681848
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
(2S)-2-acetamido-6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]hexanoic acid
CID 168680225

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680812) is [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CCOC(CCN1CC(CS(N)(=O)=O)CC1=O)OCC.
What is the InChIKey of [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is UHWGNSRDPOMYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5S/c1-3-18-12(19-4-2)5-6-14-8-10(7-11(14)15)9-20(13,16)17/h10,12H,3-9H2,1-2H3,(H2,13,16,17).
What are the key properties of [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of -0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).