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

C17H32FNO3S — CID 168675260

IUPAC(1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C17H32FNO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19-14-16(13-17(19)20)15-23(18,21)22/h16H,2-15H2,1H3
InChIKeyOJZNJRDSIOQJOM-UHFFFAOYSA-N
MW349.51 g/mol
LogP4.06
Rot. Bonds13

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

(1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (PubChem CID 168675260) has the molecular formula C17H32FNO3S and a molecular weight of 349.51 g/mol. Its IUPAC name is (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
PubChem CID168675260
Molecular FormulaC17H32FNO3S
Molecular Weight349.51 g/mol
Exact Mass349.21
IUPAC Name(1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride
SMILESCCCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C17H32FNO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19-14-16(13-17(19)20)15-23(18,21)22/h16H,2-15H2,1H3
InChIKeyOJZNJRDSIOQJOM-UHFFFAOYSA-N
XLogP4.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 54.06
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-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The IUPAC name of (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride (CID 168675260) is (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride.
What is the SMILES notation for (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The canonical SMILES for (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is CCCCCCCCCCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
The InChIKey is OJZNJRDSIOQJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FNO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19-14-16(13-17(19)20)15-23(18,21)22/h16H,2-15H2,1H3.
What are the key properties of (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride?
(1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride has a molecular weight of 349.51 g/mol, XLogP of 4.06, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-dodecyl-5-oxopyrrolidin-3-yl)methanesulfonyl fluoride is sourced from PubChem (CID 168675260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).