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

C15H28FNO3S — CID 168675261

IUPAC(1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H28FNO3S/c1-2-3-4-5-6-7-8-9-10-17-12-14(11-15(17)18)13-21(16,19)20/h14H,2-13H2,1H3
InChIKeyHRHGDRAKHGXJNJ-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.27
Rot. Bonds11

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

(1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168675261) has the molecular formula C15H28FNO3S and a molecular weight of 321.46 g/mol. Its IUPAC name is (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168675261
Molecular FormulaC15H28FNO3S
Molecular Weight321.46 g/mol
Exact Mass321.18
IUPAC Name(1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C15H28FNO3S/c1-2-3-4-5-6-7-8-9-10-17-12-14(11-15(17)18)13-21(16,19)20/h14H,2-13H2,1H3
InChIKeyHRHGDRAKHGXJNJ-UHFFFAOYSA-N
XLogP3.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.27
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-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (CID 168675261) is (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is CCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is HRHGDRAKHGXJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO3S/c1-2-3-4-5-6-7-8-9-10-17-12-14(11-15(17)18)13-21(16,19)20/h14H,2-13H2,1H3.
What are the key properties of (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
(1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 321.46 g/mol, XLogP of 3.27, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-decyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168675261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).