N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C21H26FN3O3S — CID 60570236

IUPACN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2(c3cccc(F)c3)CCOCC2)nc1)N1CCCC1
InChIInChI=1S/C21H26FN3O3S/c22-18-5-3-4-17(14-18)21(8-12-28-13-9-21)16-24-20-7-6-19(15-23-20)29(26,27)25-10-1-2-11-25/h3-7,14-15H,1-2,8-13,16H2,(H,23,24)
InChIKeyLTFORJDMSLCGLU-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.17
Rot. Bonds6

About N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 60570236) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID60570236
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC NameN-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCC2(c3cccc(F)c3)CCOCC2)nc1)N1CCCC1
InChIInChI=1S/C21H26FN3O3S/c22-18-5-3-4-17(14-18)21(8-12-28-13-9-21)16-24-20-7-6-19(15-23-20)29(26,27)25-10-1-2-11-25/h3-7,14-15H,1-2,8-13,16H2,(H,23,24)
InChIKeyLTFORJDMSLCGLU-UHFFFAOYSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-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 N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 60570236) is N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCC2(c3cccc(F)c3)CCOCC2)nc1)N1CCCC1.
What is the InChIKey of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is LTFORJDMSLCGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c22-18-5-3-4-17(14-18)21(8-12-28-13-9-21)16-24-20-7-6-19(15-23-20)29(26,27)25-10-1-2-11-25/h3-7,14-15H,1-2,8-13,16H2,(H,23,24).
What are the key properties of N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 419.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 60570236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).