1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

C11H13ClN2O3S — CID 168711290

IUPAC1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCc1cccnc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H13ClN2O3S/c1-2-8-4-3-5-13-11(8)14-7-9(6-10(14)15)18(12,16)17/h3-5,9H,2,6-7H2,1H3
InChIKeyDDMPZOBEYRPZHD-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.32
Rot. Bonds3

About 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride

1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (PubChem CID 168711290) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
PubChem CID168711290
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
SMILESCCc1cccnc1N1CC(S(=O)(=O)Cl)CC1=O
InChIInChI=1S/C11H13ClN2O3S/c1-2-8-4-3-5-13-11(8)14-7-9(6-10(14)15)18(12,16)17/h3-5,9H,2,6-7H2,1H3
InChIKeyDDMPZOBEYRPZHD-UHFFFAOYSA-N
XLogP1.32
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-2-pyridinyl)-4-sulfanylpyrrolidin-2-one
CID 168708315
1-(1,7-naphthyridin-8-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712978
1-isoquinolin-1-yl-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712977
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
1-[(2-chloro-3-pyridinyl)methyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712228
1-(2-chloro-3-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712878
methyl 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693214
[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674271
4-hydroxy-1-[3-(hydroxymethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168703715
5-oxo-1-(1,10-phenanthrolin-5-yl)pyrrolidine-3-sulfonyl chloride
CID 168712719
5-oxo-1-(quinolin-7-ylmethyl)pyrrolidine-3-sulfonyl chloride
CID 168712210
1-(2,5-dichloropyrimidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712631

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride (CID 168711290) is 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is CCc1cccnc1N1CC(S(=O)(=O)Cl)CC1=O.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
The InChIKey is DDMPZOBEYRPZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-2-8-4-3-5-13-11(8)14-7-9(6-10(14)15)18(12,16)17/h3-5,9H,2,6-7H2,1H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride?
1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride has a molecular weight of 288.76 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168711290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).