[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride

C15H16ClN3O3S — CID 168673730

IUPAC[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCc1cnc2ccccc2n1
InChIInChI=1S/C15H16ClN3O3S/c16-23(21,22)10-11-7-15(20)19(9-11)6-5-12-8-17-13-3-1-2-4-14(13)18-12/h1-4,8,11H,5-7,9-10H2
InChIKeyLIQAPCSQNATXPR-UHFFFAOYSA-N
MW353.83 g/mol
LogP1.59
Rot. Bonds5

About [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride

[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168673730) has the molecular formula C15H16ClN3O3S and a molecular weight of 353.83 g/mol. Its IUPAC name is [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168673730
Molecular FormulaC15H16ClN3O3S
Molecular Weight353.83 g/mol
Exact Mass353.06
IUPAC Name[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1CCc1cnc2ccccc2n1
InChIInChI=1S/C15H16ClN3O3S/c16-23(21,22)10-11-7-15(20)19(9-11)6-5-12-8-17-13-3-1-2-4-14(13)18-12/h1-4,8,11H,5-7,9-10H2
InChIKeyLIQAPCSQNATXPR-UHFFFAOYSA-N
XLogP1.59
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-oxo-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673732
5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168714947
[5-oxo-1-(quinolin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673804
[1-(2-imidazo[1,2-a]pyridin-3-ylethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673717
[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673658
[1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672882
[1-[2-(4-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673680
[5-oxo-1-(3-phenylsulfanylpropyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673657
4-ethenyl-1-(quinoxalin-2-ylmethyl)pyrrolidin-2-one
CID 168685508
[5-oxo-1-(quinolin-7-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673807
[5-oxo-1-(pyrimidin-5-ylmethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673835
[1-(1,2-oxazol-3-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673856

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride (CID 168673730) is [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1CCc1cnc2ccccc2n1.
What is the InChIKey of [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is LIQAPCSQNATXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3S/c16-23(21,22)10-11-7-15(20)19(9-11)6-5-12-8-17-13-3-1-2-4-14(13)18-12/h1-4,8,11H,5-7,9-10H2.
What are the key properties of [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 353.83 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(2-quinoxalin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168673730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).