1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine

C15H23ClN2O2S — CID 63256082

IUPAC1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-12(17)15-4-2-3-9-18(15)10-11-21(19,20)14-7-5-13(16)6-8-14/h5-8,12,15H,2-4,9-11,17H2,1H3
InChIKeyUSLXYAVTBNQCLS-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.32
Rot. Bonds5

About 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine

1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine (PubChem CID 63256082) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
PubChem CID63256082
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2S/c1-12(17)15-4-2-3-9-18(15)10-11-21(19,20)14-7-5-13(16)6-8-14/h5-8,12,15H,2-4,9-11,17H2,1H3
InChIKeyUSLXYAVTBNQCLS-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119912042
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
CID 39991594
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
1-[1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-3-yl]ethanol
CID 115966792
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine (CID 63256082) is 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1CCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine?
The InChIKey is USLXYAVTBNQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12(17)15-4-2-3-9-18(15)10-11-21(19,20)14-7-5-13(16)6-8-14/h5-8,12,15H,2-4,9-11,17H2,1H3.
What are the key properties of 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine?
1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine has a molecular weight of 330.88 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63256082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).