5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline

C15H24N2O3S — CID 83052764

IUPAC5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
SMILESCCCC1CCCCN1S(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C15H24N2O3S/c1-3-6-12-7-4-5-10-17(12)21(18,19)15-9-8-13(20-2)11-14(15)16/h8-9,11-12H,3-7,10,16H2,1-2H3
InChIKeyLAVLZBWJBAHZJP-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.62
Rot. Bonds5

About 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline

5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline (PubChem CID 83052764) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
PubChem CID83052764
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline
SMILESCCCC1CCCCN1S(=O)(=O)c1ccc(OC)cc1N
InChIInChI=1S/C15H24N2O3S/c1-3-6-12-7-4-5-10-17(12)21(18,19)15-9-8-13(20-2)11-14(15)16/h8-9,11-12H,3-7,10,16H2,1-2H3
InChIKeyLAVLZBWJBAHZJP-UHFFFAOYSA-N
XLogP2.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272
4-methoxy-3-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83053094
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
[(2R)-1-(4-methoxy-2-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688201
[(2S)-1-(2-bromo-5-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124688419
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559
2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604734
3-(2-ethylazepan-1-yl)sulfonyl-4-methoxyaniline
CID 104688731
1-(2,4-dimethoxyphenyl)sulfonyl-2-methylpiperidine
CID 19682578
3-(2-propylpiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 83053033
N-methyl-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83062064
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline (CID 83052764) is 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline is CCCC1CCCCN1S(=O)(=O)c1ccc(OC)cc1N.
What is the InChIKey of 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline?
The InChIKey is LAVLZBWJBAHZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-6-12-7-4-5-10-17(12)21(18,19)15-9-8-13(20-2)11-14(15)16/h8-9,11-12H,3-7,10,16H2,1-2H3.
What are the key properties of 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline?
5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline has a molecular weight of 312.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-propylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 83052764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).