(1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

C9H16FNO3S — CID 168675044

IUPAC(1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCC(C)(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-9(2,3)11-5-7(4-8(11)12)6-15(10,13)14/h7H,4-6H2,1-3H3
InChIKeyFDNTYBRBUSXFMT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.93
Rot. Bonds2

About (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

(1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168675044) has the molecular formula C9H16FNO3S and a molecular weight of 237.30 g/mol. Its IUPAC name is (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168675044
Molecular FormulaC9H16FNO3S
Molecular Weight237.30 g/mol
Exact Mass237.08
IUPAC Name(1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCC(C)(C)N1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C9H16FNO3S/c1-9(2,3)11-5-7(4-8(11)12)6-15(10,13)14/h7H,4-6H2,1-3H3
InChIKeyFDNTYBRBUSXFMT-UHFFFAOYSA-N
XLogP0.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-tert-butyl-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-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (CID 168675044) is (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is CC(C)(C)N1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is FDNTYBRBUSXFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3S/c1-9(2,3)11-5-7(4-8(11)12)6-15(10,13)14/h7H,4-6H2,1-3H3.
What are the key properties of (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
(1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 237.30 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168675044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).