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

C14H22Cl2N2O3S — CID 119974773

IUPAC1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1.Cl
InChIInChI=1S/C14H21ClN2O3S.ClH/c1-10(16)11-5-7-17(8-6-11)21(18,19)14-9-12(20-2)3-4-13(14)15;/h3-4,9-11H,5-8,16H2,1-2H3;1H
InChIKeyRDGMYADMKARUAI-UHFFFAOYSA-N
MW369.31 g/mol
LogP2.52
Rot. Bonds4

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

1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119974773) has the molecular formula C14H22Cl2N2O3S and a molecular weight of 369.31 g/mol. Its IUPAC name is 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
PubChem CID119974773
Molecular FormulaC14H22Cl2N2O3S
Molecular Weight369.31 g/mol
Exact Mass368.07
IUPAC Name1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
SMILESCOc1ccc(Cl)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1.Cl
InChIInChI=1S/C14H21ClN2O3S.ClH/c1-10(16)11-5-7-17(8-6-11)21(18,19)14-9-12(20-2)3-4-13(14)15;/h3-4,9-11H,5-8,16H2,1-2H3;1H
InChIKeyRDGMYADMKARUAI-UHFFFAOYSA-N
XLogP2.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-bromo-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974856
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
[1-(2-chloro-5-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971958
1-[1-(5-chloro-4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709083
1-(2-chloro-5-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 119961618
2-[[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]-ethylamino]acetic acid;hydrochloride
CID 129004445
1-[1-(2,3-dichlorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596925
1-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709112
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
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
CID 120709113
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride (CID 119974773) is 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is COc1ccc(Cl)c(S(=O)(=O)N2CCC(C(C)N)CC2)c1.Cl.
What is the InChIKey of 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is RDGMYADMKARUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S.ClH/c1-10(16)11-5-7-17(8-6-11)21(18,19)14-9-12(20-2)3-4-13(14)15;/h3-4,9-11H,5-8,16H2,1-2H3;1H.
What are the key properties of 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride?
1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 369.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-5-methoxyphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119974773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).