1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

C19H25ClN2O2S — CID 119984251

IUPAC1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-15(20)17-10-7-13-21(14-17)24(22,23)19-12-6-5-11-18(19)16-8-3-2-4-9-16;/h2-6,8-9,11-12,15,17H,7,10,13-14,20H2,1H3;1H
InChIKeyTXPZBPWBPMUOIK-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.52
Rot. Bonds4

About 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride

1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119984251) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
PubChem CID119984251
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC Name1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1.Cl
InChIInChI=1S/C19H24N2O2S.ClH/c1-15(20)17-10-7-13-21(14-17)24(22,23)19-12-6-5-11-18(19)16-8-3-2-4-9-16;/h2-6,8-9,11-12,15,17H,7,10,13-14,20H2,1H3;1H
InChIKeyTXPZBPWBPMUOIK-UHFFFAOYSA-N
XLogP3.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[(3S)-1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124690297
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
CID 119984364
(1R)-1-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine
CID 124553883
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
1-[1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984212
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
1-(2-phenylphenyl)sulfonylpyrrolidine
CID 51112991
1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984215
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
1-[1-(5-tert-butylthiophen-2-yl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984523
2-[3-[3-(1-aminoethyl)piperidin-1-yl]sulfonylpropyl]isoindole-1,3-dione;hydrochloride
CID 120710926
ethyl N-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]carbamate
CID 55915043

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride (CID 119984251) is 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is CC(N)C1CCCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1.Cl.
What is the InChIKey of 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is TXPZBPWBPMUOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c1-15(20)17-10-7-13-21(14-17)24(22,23)19-12-6-5-11-18(19)16-8-3-2-4-9-16;/h2-6,8-9,11-12,15,17H,7,10,13-14,20H2,1H3;1H.
What are the key properties of 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride?
1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119984251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).