[1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C13H24FNO3S — CID 168674706

IUPAC[1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)CCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H24FNO3S/c1-10(2)5-4-6-11(3)15-8-12(7-13(15)16)9-19(14,17)18/h10-12H,4-9H2,1-3H3
InChIKeyXYJWSNNGRUXKKI-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.35
Rot. Bonds7

About [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674706) has the molecular formula C13H24FNO3S and a molecular weight of 293.40 g/mol. Its IUPAC name is [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674706
Molecular FormulaC13H24FNO3S
Molecular Weight293.40 g/mol
Exact Mass293.15
IUPAC Name[1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)CCCC(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C13H24FNO3S/c1-10(2)5-4-6-11(3)15-8-12(7-13(15)16)9-19(14,17)18/h10-12H,4-9H2,1-3H3
InChIKeyXYJWSNNGRUXKKI-UHFFFAOYSA-N
XLogP2.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674706) is [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)CCCC(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is XYJWSNNGRUXKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO3S/c1-10(2)5-4-6-11(3)15-8-12(7-13(15)16)9-19(14,17)18/h10-12H,4-9H2,1-3H3.
What are the key properties of [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 293.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methylheptan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).