1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

C15H24Cl2N2O3S — CID 120709083

IUPAC1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)cc1Cl.Cl
InChIInChI=1S/C15H23ClN2O3S.ClH/c1-10-8-14(21-3)13(16)9-15(10)22(19,20)18-6-4-12(5-7-18)11(2)17;/h8-9,11-12H,4-7,17H2,1-3H3;1H
InChIKeyFFIJWPOGGSISEQ-UHFFFAOYSA-N
MW383.34 g/mol
LogP2.83
Rot. Bonds4

About 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride

1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120709083) has the molecular formula C15H24Cl2N2O3S and a molecular weight of 383.34 g/mol. Its IUPAC name is 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID120709083
Molecular FormulaC15H24Cl2N2O3S
Molecular Weight383.34 g/mol
Exact Mass382.09
IUPAC Name1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)cc1Cl.Cl
InChIInChI=1S/C15H23ClN2O3S.ClH/c1-10-8-14(21-3)13(16)9-15(10)22(19,20)18-6-4-12(5-7-18)11(2)17;/h8-9,11-12H,4-7,17H2,1-3H3;1H
InChIKeyFFIJWPOGGSISEQ-UHFFFAOYSA-N
XLogP2.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-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

1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709112
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 120709113
1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110757932
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974773
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120710901
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
1-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974866
1-[1-(2-methyl-4-nitrophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119975033
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 120709083) is 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is COc1cc(C)c(S(=O)(=O)N2CCC(C(C)N)CC2)cc1Cl.Cl.
What is the InChIKey of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is FFIJWPOGGSISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S.ClH/c1-10-8-14(21-3)13(16)9-15(10)22(19,20)18-6-4-12(5-7-18)11(2)17;/h8-9,11-12H,4-7,17H2,1-3H3;1H.
What are the key properties of 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 383.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120709083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).