[5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C10H15FN2O4S — CID 168674916

IUPAC[5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1NCCCC1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H15FN2O4S/c11-18(16,17)6-7-4-9(14)13(5-7)8-2-1-3-12-10(8)15/h7-8H,1-6H2,(H,12,15)
InChIKeyXHBWZWGKBXNMKW-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.59
Rot. Bonds3

About [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674916) has the molecular formula C10H15FN2O4S and a molecular weight of 278.31 g/mol. Its IUPAC name is [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674916
Molecular FormulaC10H15FN2O4S
Molecular Weight278.31 g/mol
Exact Mass278.07
IUPAC Name[5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESO=C1NCCCC1N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H15FN2O4S/c11-18(16,17)6-7-4-9(14)13(5-7)8-2-1-3-12-10(8)15/h7-8H,1-6H2,(H,12,15)
InChIKeyXHBWZWGKBXNMKW-UHFFFAOYSA-N
XLogP-0.59
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674916) is [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is O=C1NCCCC1N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is XHBWZWGKBXNMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S/c11-18(16,17)6-7-4-9(14)13(5-7)8-2-1-3-12-10(8)15/h7-8H,1-6H2,(H,12,15).
What are the key properties of [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 278.31 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-1-(2-oxopiperidin-3-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).