1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride

C17H23ClN2O2S — CID 119984364

IUPAC1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-13(18)15-8-5-11-19(12-15)22(20,21)17-10-4-7-14-6-2-3-9-16(14)17;/h2-4,6-7,9-10,13,15H,5,8,11-12,18H2,1H3;1H
InChIKeyJOOUJVQHHWHRSO-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.01
Rot. Bonds3

About 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride

1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride (PubChem CID 119984364) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
PubChem CID119984364
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC Name1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride
SMILESCC(N)C1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-13(18)15-8-5-11-19(12-15)22(20,21)17-10-4-7-14-6-2-3-9-16(14)17;/h2-4,6-7,9-10,13,15H,5,8,11-12,18H2,1H3;1H
InChIKeyJOOUJVQHHWHRSO-UHFFFAOYSA-N
XLogP3.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-naphthalen-1-ylsulfonylpiperidin-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
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
1-[1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710910
1-[1-(2-phenylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984251
1-[1-(2-bromo-3-methylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984212
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
(1R)-1-[(3S)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]ethanamine
CID 124553883
(1S)-1-[(3R)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678233
3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
CID 119961093
1-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 119984263

Frequently Asked Questions

What is the IUPAC name of 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride (CID 119984364) is 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride is CC(N)C1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.Cl.
What is the InChIKey of 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride?
The InChIKey is JOOUJVQHHWHRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.ClH/c1-13(18)15-8-5-11-19(12-15)22(20,21)17-10-4-7-14-6-2-3-9-16(14)17;/h2-4,6-7,9-10,13,15H,5,8,11-12,18H2,1H3;1H.
What are the key properties of 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride?
1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 119984364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).