1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride

C10H18ClNO5S — CID 168711208

IUPAC1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCOC(CN1CC(S(=O)(=O)Cl)CC1=O)OCC
InChIInChI=1S/C10H18ClNO5S/c1-3-16-10(17-4-2)7-12-6-8(5-9(12)13)18(11,14)15/h8,10H,3-7H2,1-2H3
InChIKeyDDPGJVHOLPPECP-UHFFFAOYSA-N
MW299.78 g/mol
LogP0.56
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711208) has the molecular formula C10H18ClNO5S and a molecular weight of 299.78 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711208
Molecular FormulaC10H18ClNO5S
Molecular Weight299.78 g/mol
Exact Mass299.06
IUPAC Name1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCOC(CN1CC(S(=O)(=O)Cl)CC1=O)OCC
InChIInChI=1S/C10H18ClNO5S/c1-3-16-10(17-4-2)7-12-6-8(5-9(12)13)18(11,14)15/h8,10H,3-7H2,1-2H3
InChIKeyDDPGJVHOLPPECP-UHFFFAOYSA-N
XLogP0.56
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 50.56
H-Bond Donors ≤ 50
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
4-(bromomethyl)-1-(2,2-diethoxyethyl)pyrrolidin-2-one
CID 168503820
5-oxo-1-(3-propan-2-yloxypropyl)pyrrolidine-3-sulfonyl chloride
CID 168711091
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
5-oxo-1-pentylpyrrolidine-3-sulfonyl chloride
CID 168711163
1-(3-methoxypropyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711428
1-(cyclohexylmethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712043
[1-(3,3-diethoxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680812
5-oxo-1-pentan-3-ylpyrrolidine-3-sulfonyl chloride
CID 168711154
1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711571
1-[[1-(methoxymethyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711427
1-[2-(3,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711550

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711208) is 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride is CCOC(CN1CC(S(=O)(=O)Cl)CC1=O)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is DDPGJVHOLPPECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO5S/c1-3-16-10(17-4-2)7-12-6-8(5-9(12)13)18(11,14)15/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 299.78 g/mol, XLogP of 0.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).