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

C12H15ClN2O3S — CID 168672520

IUPAC[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESCC(c1ccccn1)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C12H15ClN2O3S/c1-9(11-4-2-3-5-14-11)15-7-10(6-12(15)16)8-19(13,17)18/h2-5,9-10H,6-8H2,1H3
InChIKeyWXASBHVLQBTJIZ-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.56
Rot. Bonds4

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

[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride (PubChem CID 168672520) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
PubChem CID168672520
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
SMILESCC(c1ccccn1)N1CC(CS(=O)(=O)Cl)CC1=O
InChIInChI=1S/C12H15ClN2O3S/c1-9(11-4-2-3-5-14-11)15-7-10(6-12(15)16)8-19(13,17)18/h2-5,9-10H,6-8H2,1H3
InChIKeyWXASBHVLQBTJIZ-UHFFFAOYSA-N
XLogP1.56
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(2-ethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672548
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 84701616
[1-[1-(4-ethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672553
(1-butan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonyl chloride
CID 168672525
[1-(2-methyl-1-pyridin-4-ylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672467
[1-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672570
1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64956136
[1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673577
3-ethyl-1-(1-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64963137
[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674271
[1-[furan-2-yl(phenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672580
[1-(2-butan-2-ylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672528

Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The IUPAC name of [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride (CID 168672520) is [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The canonical SMILES for [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride is CC(c1ccccn1)N1CC(CS(=O)(=O)Cl)CC1=O.
What is the InChIKey of [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
The InChIKey is WXASBHVLQBTJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-9(11-4-2-3-5-14-11)15-7-10(6-12(15)16)8-19(13,17)18/h2-5,9-10H,6-8H2,1H3.
What are the key properties of [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride?
[5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride has a molecular weight of 302.78 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(1-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 168672520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).