1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride

C13H21ClN2O4S — CID 119959410

IUPAC1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1cc(OC)cc(S(=O)(=O)N2CCC(N)CC2)c1.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-18-11-7-12(19-2)9-13(8-11)20(16,17)15-5-3-10(14)4-6-15;/h7-10H,3-6,14H2,1-2H3;1H
InChIKeyGJSQDTOYCSXHPU-UHFFFAOYSA-N
MW336.84 g/mol
LogP1.24
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride

1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119959410) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119959410
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCOc1cc(OC)cc(S(=O)(=O)N2CCC(N)CC2)c1.Cl
InChIInChI=1S/C13H20N2O4S.ClH/c1-18-11-7-12(19-2)9-13(8-11)20(16,17)15-5-3-10(14)4-6-15;/h7-10H,3-6,14H2,1-2H3;1H
InChIKeyGJSQDTOYCSXHPU-UHFFFAOYSA-N
XLogP1.24
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethoxyphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119989667
2-(3,5-dimethoxyphenyl)sulfonyl-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 138043275
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
(3aS,6aR)-5-(3,5-dimethoxyphenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120665569
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998743
1-(4-propoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959067
1-(5-bromo-2,4-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959404
(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119959410) is 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride is COc1cc(OC)cc(S(=O)(=O)N2CCC(N)CC2)c1.Cl.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is GJSQDTOYCSXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S.ClH/c1-18-11-7-12(19-2)9-13(8-11)20(16,17)15-5-3-10(14)4-6-15;/h7-10H,3-6,14H2,1-2H3;1H.
What are the key properties of 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride?
1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 336.84 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119959410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).