(1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

C14H26FNO3S — CID 168675262

IUPAC(1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H26FNO3S/c1-2-3-4-5-6-7-8-9-16-11-13(10-14(16)17)12-20(15,18)19/h13H,2-12H2,1H3
InChIKeyMHBSPAMHOZTAAP-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.88
Rot. Bonds10

About (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride

(1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168675262) has the molecular formula C14H26FNO3S and a molecular weight of 307.43 g/mol. Its IUPAC name is (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168675262
Molecular FormulaC14H26FNO3S
Molecular Weight307.43 g/mol
Exact Mass307.16
IUPAC Name(1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C14H26FNO3S/c1-2-3-4-5-6-7-8-9-16-11-13(10-14(16)17)12-20(15,18)19/h13H,2-12H2,1H3
InChIKeyMHBSPAMHOZTAAP-UHFFFAOYSA-N
XLogP2.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (CID 168675262) is (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is CCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is MHBSPAMHOZTAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO3S/c1-2-3-4-5-6-7-8-9-16-11-13(10-14(16)17)12-20(15,18)19/h13H,2-12H2,1H3.
What are the key properties of (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
(1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 307.43 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-nonyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168675262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).