(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride

C9H10ClN3O3S — CID 168674576

IUPAC(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ncccn1
InChIInChI=1S/C9H10ClN3O3S/c10-17(15,16)6-7-4-8(14)13(5-7)9-11-2-1-3-12-9/h1-3,7H,4-6H2
InChIKeyIWQATRXCUNEZQA-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.40
Rot. Bonds3

About (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride

(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride (PubChem CID 168674576) has the molecular formula C9H10ClN3O3S and a molecular weight of 275.72 g/mol. Its IUPAC name is (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
PubChem CID168674576
Molecular FormulaC9H10ClN3O3S
Molecular Weight275.72 g/mol
Exact Mass275.01
IUPAC Name(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride
SMILESO=C1CC(CS(=O)(=O)Cl)CN1c1ncccn1
InChIInChI=1S/C9H10ClN3O3S/c10-17(15,16)6-7-4-8(14)13(5-7)9-11-2-1-3-12-9/h1-3,7H,4-6H2
InChIKeyIWQATRXCUNEZQA-UHFFFAOYSA-N
XLogP0.40
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674271
(5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonyl chloride
CID 168674585
[5-oxo-1-(2-phenylpyrazol-3-yl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674483
5-oxo-1-pyrimidin-2-ylpyrrolidine-3-sulfonyl chloride
CID 168712980
[1-[4-(4-bromophenyl)pyrimidin-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674558
[1-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673577
[1-(5-chloropyrazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674239
[5-oxo-1-(3-pyridin-2-yloxyphenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674461
[1-(5-acetyl-4-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672741
[1-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672465
[5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673880
[5-oxo-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168674565

Frequently Asked Questions

What is the IUPAC name of (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
The IUPAC name of (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride (CID 168674576) is (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
The canonical SMILES for (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride is O=C1CC(CS(=O)(=O)Cl)CN1c1ncccn1.
What is the InChIKey of (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
The InChIKey is IWQATRXCUNEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O3S/c10-17(15,16)6-7-4-8(14)13(5-7)9-11-2-1-3-12-9/h1-3,7H,4-6H2.
What are the key properties of (5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride?
(5-oxo-1-pyrimidin-2-ylpyrrolidin-3-yl)methanesulfonyl chloride has a molecular weight of 275.72 g/mol, XLogP of 0.40, 3 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-ylpyrrolidin-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 168674576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).