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

C13H20Cl2N2O2S — CID 119965267

IUPAC1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-10(15)13-7-2-3-8-16(13)19(17,18)12-6-4-5-11(14)9-12;/h4-6,9-10,13H,2-3,7-8,15H2,1H3;1H
InChIKeyIQSMURWSCJMHSM-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.65
Rot. Bonds3

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

1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119965267) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
PubChem CID119965267
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1S(=O)(=O)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-10(15)13-7-2-3-8-16(13)19(17,18)12-6-4-5-11(14)9-12;/h4-6,9-10,13H,2-3,7-8,15H2,1H3;1H
InChIKeyIQSMURWSCJMHSM-UHFFFAOYSA-N
XLogP2.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]sulfonylbenzenesulfonamide
CID 125118493
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
1-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965190
1-[1-[3-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 120762959
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965265
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965309
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
4-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-N,2-dimethylbenzenesulfonamide;hydrochloride
CID 120999652
5-[2-(1-aminoethyl)piperidin-1-yl]sulfonyl-2-fluorobenzonitrile;hydrochloride
CID 119965338
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-2-yl]ethanamine
CID 63254819

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride (CID 119965267) is 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1S(=O)(=O)c1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is IQSMURWSCJMHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c1-10(15)13-7-2-3-8-16(13)19(17,18)12-6-4-5-11(14)9-12;/h4-6,9-10,13H,2-3,7-8,15H2,1H3;1H.
What are the key properties of 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride?
1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119965267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).