[1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C9H16FNO5S — CID 168674641

IUPAC[1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESC[C@@H](O)[C@@H](CO)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO5S/c1-6(13)8(4-12)11-3-7(2-9(11)14)5-17(10,15)16/h6-8,12-13H,2-5H2,1H3/t6-,7?,8-/m1/s1
InChIKeyUHKJAALDHNFCIU-OECOWPMFSA-N
MW269.29 g/mol
LogP-1.12
Rot. Bonds5

About [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674641) has the molecular formula C9H16FNO5S and a molecular weight of 269.29 g/mol. Its IUPAC name is [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674641
Molecular FormulaC9H16FNO5S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC Name[1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESC[C@@H](O)[C@@H](CO)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO5S/c1-6(13)8(4-12)11-3-7(2-9(11)14)5-17(10,15)16/h6-8,12-13H,2-5H2,1H3/t6-,7?,8-/m1/s1
InChIKeyUHKJAALDHNFCIU-OECOWPMFSA-N
XLogP-1.12
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674641) is [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is C[C@@H](O)[C@@H](CO)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UHKJAALDHNFCIU-OECOWPMFSA-N. The full InChI is InChI=1S/C9H16FNO5S/c1-6(13)8(4-12)11-3-7(2-9(11)14)5-17(10,15)16/h6-8,12-13H,2-5H2,1H3/t6-,7?,8-/m1/s1.
What are the key properties of [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 269.29 g/mol, XLogP of -1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R,3R)-1,3-dihydroxybutan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).