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

C15H24N2O3S — CID 61217736

IUPAC1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCCOC1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-8-10-17(11-9-14)21(18,19)15-6-4-13(5-7-15)12(2)16/h4-7,12,14H,3,8-11,16H2,1-2H3
InChIKeyRFUXJRQHKHZBLN-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.90
Rot. Bonds5

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

1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine (PubChem CID 61217736) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
PubChem CID61217736
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
SMILESCCOC1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1
InChIInChI=1S/C15H24N2O3S/c1-3-20-14-8-10-17(11-9-14)21(18,19)15-6-4-13(5-7-15)12(2)16/h4-7,12,14H,3,8-11,16H2,1-2H3
InChIKeyRFUXJRQHKHZBLN-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-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
4-(4-ethoxypiperidin-1-yl)sulfonylaniline
CID 61219591
1-(4-bromophenyl)sulfonyl-4-ethoxypiperidine
CID 61217397
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-(4-bromo-3-methylphenyl)sulfonyl-4-ethoxypiperidine
CID 47350781
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
CID 114679042
(1S)-1-[3-chloro-4-(4-ethoxypiperidin-1-yl)phenyl]ethanamine
CID 78934855
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
1-[1-[4-(2-methylpropyl)phenyl]sulfonylpiperidin-4-yl]ethanamine
CID 119975031
[5-(4-ethoxypiperidin-1-yl)sulfonylpyrimidin-2-yl]hydrazine
CID 61329704

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The IUPAC name of 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine (CID 61217736) is 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The canonical SMILES for 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine is CCOC1CCN(S(=O)(=O)c2ccc(C(C)N)cc2)CC1.
What is the InChIKey of 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
The InChIKey is RFUXJRQHKHZBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-14-8-10-17(11-9-14)21(18,19)15-6-4-13(5-7-15)12(2)16/h4-7,12,14H,3,8-11,16H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine?
1-[4-(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-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine is sourced from PubChem (CID 61217736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).