[1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

C11H21FN2O3S — CID 168676400

IUPAC[1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H21FN2O3S/c12-18(16,17)9-10-7-11(15)14(8-10)6-4-2-1-3-5-13/h10H,1-9,13H2
InChIKeyOAWLFHQBXZVCHV-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.65
Rot. Bonds8

About [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride

[1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (PubChem CID 168676400) has the molecular formula C11H21FN2O3S and a molecular weight of 280.36 g/mol. Its IUPAC name is [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
PubChem CID168676400
Molecular FormulaC11H21FN2O3S
Molecular Weight280.36 g/mol
Exact Mass280.13
IUPAC Name[1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
SMILESNCCCCCCN1CC(CS(=O)(=O)F)CC1=O
InChIInChI=1S/C11H21FN2O3S/c12-18(16,17)9-10-7-11(15)14(8-10)6-4-2-1-3-5-13/h10H,1-9,13H2
InChIKeyOAWLFHQBXZVCHV-UHFFFAOYSA-N
XLogP0.65
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride (CID 168676400) is [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is NCCCCCCN1CC(CS(=O)(=O)F)CC1=O.
What is the InChIKey of [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
The InChIKey is OAWLFHQBXZVCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O3S/c12-18(16,17)9-10-7-11(15)14(8-10)6-4-2-1-3-5-13/h10H,1-9,13H2.
What are the key properties of [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride?
[1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride has a molecular weight of 280.36 g/mol, XLogP of 0.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-aminohexyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 168676400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).