1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine

C15H24N2O3S — CID 61217564

IUPAC1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCCOC1CCN(S(=O)(=O)c2cccc(C(C)N)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-7-9-17(10-8-14)21(18,19)15-6-4-5-13(11-15)12(2)16/h4-6,11-12,14H,3,7-10,16H2,1-2H3
InChIKeyAEGIELOZLMNXIN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.90
Rot. Bonds5

About 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine

1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 61217564) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
PubChem CID61217564
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCCOC1CCN(S(=O)(=O)c2cccc(C(C)N)c2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-7-9-17(10-8-14)21(18,19)15-6-4-5-13(11-15)12(2)16/h4-6,11-12,14H,3,7-10,16H2,1-2H3
InChIKeyAEGIELOZLMNXIN-UHFFFAOYSA-N
XLogP1.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.90
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-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
1-[3-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43585548
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 60873819
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
1-[3-(2-ethyl-5-methylpyrrolidin-1-yl)sulfonylphenyl]ethanamine
CID 83220488
2-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227828

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine (CID 61217564) is 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine is CCOC1CCN(S(=O)(=O)c2cccc(C(C)N)c2)CC1.
What is the InChIKey of 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is AEGIELOZLMNXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-14-7-9-17(10-8-14)21(18,19)15-6-4-5-13(11-15)12(2)16/h4-6,11-12,14H,3,7-10,16H2,1-2H3.
What are the key properties of 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine has a molecular weight of 312.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 61217564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).