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

C10H18FNO3S — CID 168674699

IUPAC[1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)C(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO3S/c1-7(2)8(3)12-5-9(4-10(12)13)6-16(11,14)15/h7-9H,4-6H2,1-3H3
InChIKeyRIVSZAXNCKCBQK-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.18
Rot. Bonds4

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

[1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168674699) has the molecular formula C10H18FNO3S and a molecular weight of 251.32 g/mol. Its IUPAC name is [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168674699
Molecular FormulaC10H18FNO3S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name[1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)C(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO3S/c1-7(2)8(3)12-5-9(4-10(12)13)6-16(11,14)15/h7-9H,4-6H2,1-3H3
InChIKeyRIVSZAXNCKCBQK-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168674699) is [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)C(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is RIVSZAXNCKCBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3S/c1-7(2)8(3)12-5-9(4-10(12)13)6-16(11,14)15/h7-9H,4-6H2,1-3H3.
What are the key properties of [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 251.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutan-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168674699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).