[1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H20FNO4S — CID 168674630

IUPAC[1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC[C@H](C)[C@@H](CO)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO4S/c1-3-8(2)10(6-14)13-5-9(4-11(13)15)7-18(12,16)17/h8-10,14H,3-7H2,1-2H3/t8-,9?,10+/m0/s1
InChIKeyWSQNBALAEBPVCS-DJBFQZMMSA-N
MW281.35 g/mol
LogP0.54
Rot. Bonds6

About [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674630) has the molecular formula C11H20FNO4S and a molecular weight of 281.35 g/mol. Its IUPAC name is [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674630
Molecular FormulaC11H20FNO4S
Molecular Weight281.35 g/mol
Exact Mass281.11
IUPAC Name[1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC[C@H](C)[C@@H](CO)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H20FNO4S/c1-3-8(2)10(6-14)13-5-9(4-11(13)15)7-18(12,16)17/h8-10,14H,3-7H2,1-2H3/t8-,9?,10+/m0/s1
InChIKeyWSQNBALAEBPVCS-DJBFQZMMSA-N
XLogP0.54
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674630) is [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC[C@H](C)[C@@H](CO)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is WSQNBALAEBPVCS-DJBFQZMMSA-N. The full InChI is InChI=1S/C11H20FNO4S/c1-3-8(2)10(6-14)13-5-9(4-11(13)15)7-18(12,16)17/h8-10,14H,3-7H2,1-2H3/t8-,9?,10+/m0/s1.
What are the key properties of [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 281.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).