[5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

C13H23FN2O3S — CID 168675164

IUPAC[5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)N1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C13H23FN2O3S/c1-10(2)15-5-3-12(4-6-15)16-8-11(7-13(16)17)9-20(14,18)19/h10-12H,3-9H2,1-2H3
InChIKeyYHOCDRWZPOMGAM-UHFFFAOYSA-N
MW306.40 g/mol
LogP1.01
Rot. Bonds4

About [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride

[5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675164) has the molecular formula C13H23FN2O3S and a molecular weight of 306.40 g/mol. Its IUPAC name is [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675164
Molecular FormulaC13H23FN2O3S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name[5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)N1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1
InChIInChI=1S/C13H23FN2O3S/c1-10(2)15-5-3-12(4-6-15)16-8-11(7-13(16)17)9-20(14,18)19/h10-12H,3-9H2,1-2H3
InChIKeyYHOCDRWZPOMGAM-UHFFFAOYSA-N
XLogP1.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675164) is [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)N1CCC(N2CC(CS(=O)(=O)F)CC2=O)CC1.
What is the InChIKey of [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is YHOCDRWZPOMGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O3S/c1-10(2)15-5-3-12(4-6-15)16-8-11(7-13(16)17)9-20(14,18)19/h10-12H,3-9H2,1-2H3.
What are the key properties of [5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride?
[5-oxo-1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 306.40 g/mol, XLogP of 1.01, 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-propan-2-ylpiperidin-4-yl)pyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).