1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide

C11H22N2O5S — CID 168717057

IUPAC1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOC(CCN1CC(S(N)(=O)=O)CC1=O)OCC
InChIInChI=1S/C11H22N2O5S/c1-3-17-11(18-4-2)5-6-13-8-9(7-10(13)14)19(12,15)16/h9,11H,3-8H2,1-2H3,(H2,12,15,16)
InChIKeyGMRCWTZRAJEATP-UHFFFAOYSA-N
MW294.37 g/mol
LogP-0.34
Rot. Bonds8

About 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide

1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717057) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717057
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide
SMILESCCOC(CCN1CC(S(N)(=O)=O)CC1=O)OCC
InChIInChI=1S/C11H22N2O5S/c1-3-17-11(18-4-2)5-6-13-8-9(7-10(13)14)19(12,15)16/h9,11H,3-8H2,1-2H3,(H2,12,15,16)
InChIKeyGMRCWTZRAJEATP-UHFFFAOYSA-N
XLogP-0.34
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 5-0.34
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-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711208
5-oxo-1-(3-trimethoxysilylpropyl)pyrrolidine-3-sulfonamide
CID 168717350
1-(3-methylsulfanylpropyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717537
1-(3,3-diethoxypropyl)-4-propylpiperazine-2,5-dione
CID 79942577
1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718184
N,N-dimethyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetamide
CID 168717165
5-oxo-1-(2-pyrrol-1-ylethyl)pyrrolidine-3-sulfonamide
CID 168718283
1-[3-(azepan-1-yl)propyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718145
1-(3,3-diethoxypropyl)pyrrolidin-2-one
CID 63628099
5-oxo-1-prop-2-ynylpyrrolidine-3-sulfonamide
CID 168716757
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide (CID 168717057) is 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide is CCOC(CCN1CC(S(N)(=O)=O)CC1=O)OCC.
What is the InChIKey of 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is GMRCWTZRAJEATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-3-17-11(18-4-2)5-6-13-8-9(7-10(13)14)19(12,15)16/h9,11H,3-8H2,1-2H3,(H2,12,15,16).
What are the key properties of 1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide?
1-(3,3-diethoxypropyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 294.37 g/mol, XLogP of -0.34, 8 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-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).