2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine

C16H23FN2O3S — CID 136575347

IUPAC2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
SMILESCN(C)C1CN(S(=O)(=O)c2ccccc2F)CC12CCOCC2
InChIInChI=1S/C16H23FN2O3S/c1-18(2)15-11-19(12-16(15)7-9-22-10-8-16)23(20,21)14-6-4-3-5-13(14)17/h3-6,15H,7-12H2,1-2H3
InChIKeyQQNHHYXOHCEFEV-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.56
Rot. Bonds3

About 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine

2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine (PubChem CID 136575347) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
PubChem CID136575347
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine
SMILESCN(C)C1CN(S(=O)(=O)c2ccccc2F)CC12CCOCC2
InChIInChI=1S/C16H23FN2O3S/c1-18(2)15-11-19(12-16(15)7-9-22-10-8-16)23(20,21)14-6-4-3-5-13(14)17/h3-6,15H,7-12H2,1-2H3
InChIKeyQQNHHYXOHCEFEV-UHFFFAOYSA-N
XLogP1.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine 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 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine (CID 136575347) is 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine is CN(C)C1CN(S(=O)(=O)c2ccccc2F)CC12CCOCC2.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
The InChIKey is QQNHHYXOHCEFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-18(2)15-11-19(12-16(15)7-9-22-10-8-16)23(20,21)14-6-4-3-5-13(14)17/h3-6,15H,7-12H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine has a molecular weight of 342.44 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-N,N-dimethyl-8-oxa-2-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 136575347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).