1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C10H19FN2O3S — CID 168714803

IUPAC1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCCCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c11-17(15,16)9-7-10(14)13(8-9)6-4-2-1-3-5-12/h9H,1-8,12H2
InChIKeyANRUUYWUFZFZKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.41
Rot. Bonds7

About 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714803) has the molecular formula C10H19FN2O3S and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714803
Molecular FormulaC10H19FN2O3S
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESNCCCCCCN1CC(S(=O)(=O)F)CC1=O
InChIInChI=1S/C10H19FN2O3S/c11-17(15,16)9-7-10(14)13(8-9)6-4-2-1-3-5-12/h9H,1-8,12H2
InChIKeyANRUUYWUFZFZKX-UHFFFAOYSA-N
XLogP0.41
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl 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-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714803) is 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride is NCCCCCCN1CC(S(=O)(=O)F)CC1=O.
What is the InChIKey of 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is ANRUUYWUFZFZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O3S/c11-17(15,16)9-7-10(14)13(8-9)6-4-2-1-3-5-12/h9H,1-8,12H2.
What are the key properties of 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 266.34 g/mol, XLogP of 0.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).