[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine

C15H24N2O2S — CID 83053469

IUPAC[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-2-6-14-8-3-4-10-17(14)20(18,19)15-9-5-7-13(11-15)12-16/h5,7,9,11,14H,2-4,6,8,10,12,16H2,1H3
InChIKeyUZLNDGPXSWGWFS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.49
Rot. Bonds5

About [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine

[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 83053469) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID83053469
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCCC1CCCCN1S(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C15H24N2O2S/c1-2-6-14-8-3-4-10-17(14)20(18,19)15-9-5-7-13(11-15)12-16/h5,7,9,11,14H,2-4,6,8,10,12,16H2,1H3
InChIKeyUZLNDGPXSWGWFS-UHFFFAOYSA-N
XLogP2.49
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(aminomethyl)phenyl]sulfonylazepan-2-yl]methanol
CID 116634411
1-[3-(2-propylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 83045893
[4-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83057460
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
[4-(2-propylpiperidin-1-yl)sulfonylphenyl]methanol
CID 83057310
[2-fluoro-6-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 83052838
3-(2-ethylpiperidin-1-yl)sulfonylbenzenesulfonyl chloride
CID 43266562
2-(bromomethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 80676500
[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988815
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
2-ethyl-1-(3-methylphenyl)sulfonylpyrrolidine
CID 110604689
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819

Frequently Asked Questions

What is the IUPAC name of [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 83053469) is [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine is CCCC1CCCCN1S(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is UZLNDGPXSWGWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-6-14-8-3-4-10-17(14)20(18,19)15-9-5-7-13(11-15)12-16/h5,7,9,11,14H,2-4,6,8,10,12,16H2,1H3.
What are the key properties of [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine?
[3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-propylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 83053469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).