[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine

C14H22N2O3S — CID 102971809

IUPAC[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCOC1CCCN(S(=O)(=O)c2cccc(CN)c2C)C1
InChIInChI=1S/C14H22N2O3S/c1-11-12(9-15)5-3-7-14(11)20(17,18)16-8-4-6-13(10-16)19-2/h3,5,7,13H,4,6,8-10,15H2,1-2H3
InChIKeyQZDPZLWPKNSVKY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.25
Rot. Bonds4

About [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine

[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine (PubChem CID 102971809) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
PubChem CID102971809
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine
SMILESCOC1CCCN(S(=O)(=O)c2cccc(CN)c2C)C1
InChIInChI=1S/C14H22N2O3S/c1-11-12(9-15)5-3-7-14(11)20(17,18)16-8-4-6-13(10-16)19-2/h3,5,7,13H,4,6,8-10,15H2,1-2H3
InChIKeyQZDPZLWPKNSVKY-UHFFFAOYSA-N
XLogP1.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 102971771
3-(3-methoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 102955371
3-[3-(methoxymethyl)piperidin-1-yl]sulfonyl-2-methylaniline
CID 106585706
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
CID 103541381
[2-chloro-3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanamine
CID 102971844
2-methyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43110377
[3-(3-methoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103541448
3-(3-methoxypiperidin-1-yl)sulfonyl-2,4,5-trimethylaniline
CID 106505482
3-(3-methoxypiperidin-1-yl)sulfonylbenzenecarbothioamide
CID 102957915
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The IUPAC name of [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine (CID 102971809) is [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine.
What is the SMILES notation for [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The canonical SMILES for [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine is COC1CCCN(S(=O)(=O)c2cccc(CN)c2C)C1.
What is the InChIKey of [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
The InChIKey is QZDPZLWPKNSVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-12(9-15)5-3-7-14(11)20(17,18)16-8-4-6-13(10-16)19-2/h3,5,7,13H,4,6,8-10,15H2,1-2H3.
What are the key properties of [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine?
[3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypiperidin-1-yl)sulfonyl-2-methylphenyl]methanamine is sourced from PubChem (CID 102971809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).