3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine

C20H24N2O3S — CID 142696829

IUPAC3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)18-14-22-12-4-3-6-19(22)20(18)26(23,24)17-9-7-16(8-10-17)25-13-5-11-21/h3-4,6-10,12,14-15H,5,11,13,21H2,1-2H3
InChIKeyZXLJKPFZAQGKOJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.62
Rot. Bonds7

About 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine

3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine (PubChem CID 142696829) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
PubChem CID142696829
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine
SMILESCC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)18-14-22-12-4-3-6-19(22)20(18)26(23,24)17-9-7-16(8-10-17)25-13-5-11-21/h3-4,6-10,12,14-15H,5,11,13,21H2,1-2H3
InChIKeyZXLJKPFZAQGKOJ-UHFFFAOYSA-N
XLogP3.62
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-bromobutoxy)phenyl]sulfonyl-2-propan-2-ylindolizine;cyclohexane
CID 160924668
3,4,5-trimethoxy-N-[3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]aniline
CID 24896271
N-butyl-N-[3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]butan-1-amine;hydrochloride
CID 19800255
2-methyl-N-[3-[4-(8-methyl-2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propyl]propan-1-amine
CID 57317450
1-(4-methoxyphenyl)sulfonyl-8-methyl-2-propan-2-ylindolizine
CID 14751730
2-methyl-N-[3-[4-(1-methyl-2-propan-2-ylindol-3-yl)sulfonylphenoxy]propyl]propan-2-amine
CID 10049017
2-methyl-N-[3-[4-[(2-propan-2-ylindolizin-1-yl)methyl]phenoxy]propyl]propan-2-amine
CID 68945865
N-[1-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propyl]-2-methylpropan-2-amine
CID 57298865
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-ethylindolizin-1-yl)sulfonylphenoxy]propan-1-amine;oxalic acid
CID 19800280
N-butyl-N-[3-[4-[6-[(2-propan-2-ylphenyl)methoxy]indolizin-1-yl]sulfonylphenoxy]propyl]butan-1-amine;hydrochloride
CID 67807729
4-(6-propan-2-ylpyrrolo[1,2-b]pyridazin-5-yl)sulfonylphenol
CID 19759122
1-(benzenesulfonyl)indolizin-2-ol
CID 67879186

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine?
The IUPAC name of 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine (CID 142696829) is 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine.
What is the SMILES notation for 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine?
The canonical SMILES for 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine is CC(C)c1cn2ccccc2c1S(=O)(=O)c1ccc(OCCCN)cc1.
What is the InChIKey of 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine?
The InChIKey is ZXLJKPFZAQGKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(2)18-14-22-12-4-3-6-19(22)20(18)26(23,24)17-9-7-16(8-10-17)25-13-5-11-21/h3-4,6-10,12,14-15H,5,11,13,21H2,1-2H3.
What are the key properties of 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine?
3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine has a molecular weight of 372.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-propan-2-ylindolizin-1-yl)sulfonylphenoxy]propan-1-amine is sourced from PubChem (CID 142696829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).