5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride

C8H8ClN3O3S — CID 168712980

IUPAC5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ncccn1
InChIInChI=1S/C8H8ClN3O3S/c9-16(14,15)6-4-7(13)12(5-6)8-10-2-1-3-11-8/h1-3,6H,4-5H2
InChIKeyGSXODUYNXVGOMC-UHFFFAOYSA-N
MW261.69 g/mol
LogP0.15
Rot. Bonds2

About 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride

5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride (PubChem CID 168712980) has the molecular formula C8H8ClN3O3S and a molecular weight of 261.69 g/mol. Its IUPAC name is 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
PubChem CID168712980
Molecular FormulaC8H8ClN3O3S
Molecular Weight261.69 g/mol
Exact Mass261.00
IUPAC Name5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
SMILESO=C1CC(S(=O)(=O)Cl)CN1c1ncccn1
InChIInChI=1S/C8H8ClN3O3S/c9-16(14,15)6-4-7(13)12(5-6)8-10-2-1-3-11-8/h1-3,6H,4-5H2
InChIKeyGSXODUYNXVGOMC-UHFFFAOYSA-N
XLogP0.15
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
CID 1084805
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
CID 16309822
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 16332413
N-(1,1-dioxothiolan-3-yl)-N-propyl-2-pyrimidin-2-ylsulfanylacetamide
CID 16332426
1-Pyrimidin-2-ylpyrrolidine-2,5-dione
CID 78323764
1-(2-Pyrimidinyl)-2-pyrrolidinone
CID 1476268
[1-(5-Fluoro-2-methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673130
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674228
[5-Oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674566
[5-Oxo-1-(1-pyrimidin-2-ylpiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674912
[1-(2-Methoxypyrimidin-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168675780
[1-(4-Methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676217

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride?
The IUPAC name of 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride (CID 168712980) is 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride.
What is the SMILES notation for 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride?
The canonical SMILES for 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride is O=C1CC(S(=O)(=O)Cl)CN1c1ncccn1.
What is the InChIKey of 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride?
The InChIKey is GSXODUYNXVGOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O3S/c9-16(14,15)6-4-7(13)12(5-6)8-10-2-1-3-11-8/h1-3,6H,4-5H2.
What are the key properties of 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride?
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride has a molecular weight of 261.69 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride is sourced from PubChem (CID 168712980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).