2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline

C15H24N2O2S — CID 83052383

IUPAC2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline
SMILESCCCC1CCCCN1c1cccc(S(C)(=O)=O)c1N
InChIInChI=1S/C15H24N2O2S/c1-3-7-12-8-4-5-11-17(12)13-9-6-10-14(15(13)16)20(2,18)19/h6,9-10,12H,3-5,7-8,11,16H2,1-2H3
InChIKeyACKOKSNRKLURSB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.83
Rot. Bonds4

About 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline

2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline (PubChem CID 83052383) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline
PubChem CID83052383
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline
SMILESCCCC1CCCCN1c1cccc(S(C)(=O)=O)c1N
InChIInChI=1S/C15H24N2O2S/c1-3-7-12-8-4-5-11-17(12)13-9-6-10-14(15(13)16)20(2,18)19/h6,9-10,12H,3-5,7-8,11,16H2,1-2H3
InChIKeyACKOKSNRKLURSB-UHFFFAOYSA-N
XLogP2.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.83
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

2-(3-chloropropyl)-1-(2-methylsulfonylphenyl)pyrrolidine
CID 55182800
methyl 2-[1-(2-methylsulfonylphenyl)piperidin-2-yl]acetate
CID 62004574
2-[2-(2-aminoethyl)piperidin-1-yl]-N-ethylbenzenesulfonamide
CID 63767418
1-N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylbenzene-1,2-diamine
CID 82003046
2-(2-ethylazepan-1-yl)-6-fluoroaniline
CID 104688888
1-(2-fluorophenyl)-2-propylpyrrolidine
CID 67817363
2-(3-methylmorpholin-4-yl)-6-methylsulfonylaniline
CID 82002195
N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 83055662
5-(2-ethylpiperidin-1-yl)-2-methylsulfonylaniline
CID 53410173
1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
CID 115992520
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
2-(3-chloropropyl)-1-(2-propylsulfonylphenyl)pyrrolidine
CID 63389913

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline?
The IUPAC name of 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline (CID 83052383) is 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline.
What is the SMILES notation for 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline?
The canonical SMILES for 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline is CCCC1CCCCN1c1cccc(S(C)(=O)=O)c1N.
What is the InChIKey of 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline?
The InChIKey is ACKOKSNRKLURSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-7-12-8-4-5-11-17(12)13-9-6-10-14(15(13)16)20(2,18)19/h6,9-10,12H,3-5,7-8,11,16H2,1-2H3.
What are the key properties of 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline?
2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline has a molecular weight of 296.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-6-(2-propylpiperidin-1-yl)aniline is sourced from PubChem (CID 83052383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).