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

C10H18FNO3S — CID 168675043

IUPAC[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)(C)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO3S/c1-10(2,3)7-12-5-8(4-9(12)13)6-16(11,14)15/h8H,4-7H2,1-3H3
InChIKeyJPGQLJBRGMVHHZ-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.18
Rot. Bonds3

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

[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168675043) has the molecular formula C10H18FNO3S and a molecular weight of 251.32 g/mol. Its IUPAC name is [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168675043
Molecular FormulaC10H18FNO3S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESCC(C)(C)CN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C10H18FNO3S/c1-10(2,3)7-12-5-8(4-9(12)13)6-16(11,14)15/h8H,4-7H2,1-3H3
InChIKeyJPGQLJBRGMVHHZ-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze [1-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168675043) is [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is CC(C)(C)CN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is JPGQLJBRGMVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3S/c1-10(2,3)7-12-5-8(4-9(12)13)6-16(11,14)15/h8H,4-7H2,1-3H3.
What are the key properties of [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 251.32 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168675043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).