1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine

C14H22N2O3S — CID 43373233

IUPAC1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-11(15)12-3-5-14(6-4-12)20(17,18)16-9-7-13(19-2)8-10-16/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyMNSXZUUTHTZEOX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.51
Rot. Bonds4

About 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine

1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 43373233) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
PubChem CID43373233
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCOC1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-11(15)12-3-5-14(6-4-12)20(17,18)16-9-7-13(19-2)8-10-16/h3-6,11,13H,7-10,15H2,1-2H3
InChIKeyMNSXZUUTHTZEOX-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217736
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 82844541
2-bromo-5-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 115328758
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 104600089
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 60873819

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine (CID 43373233) is 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine is COC1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1.
What is the InChIKey of 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is MNSXZUUTHTZEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(15)12-3-5-14(6-4-12)20(17,18)16-9-7-13(19-2)8-10-16/h3-6,11,13H,7-10,15H2,1-2H3.
What are the key properties of 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 298.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 43373233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).