[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride

C13H19Cl3N2O3S — CID 120718815

IUPAC[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C(CN)C1.Cl
InChIInChI=1S/C13H18Cl2N2O3S.ClH/c1-20-10-5-6-17(9(7-10)8-16)21(18,19)13-11(14)3-2-4-12(13)15;/h2-4,9-10H,5-8,16H2,1H3;1H
InChIKeyBHCOKNQEHSOJLR-UHFFFAOYSA-N
MW389.73 g/mol
LogP2.54
Rot. Bonds4

About [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride

[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride (PubChem CID 120718815) has the molecular formula C13H19Cl3N2O3S and a molecular weight of 389.73 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
PubChem CID120718815
Molecular FormulaC13H19Cl3N2O3S
Molecular Weight389.73 g/mol
Exact Mass388.02
IUPAC Name[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
SMILESCOC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C(CN)C1.Cl
InChIInChI=1S/C13H18Cl2N2O3S.ClH/c1-20-10-5-6-17(9(7-10)8-16)21(18,19)13-11(14)3-2-4-12(13)15;/h2-4,9-10H,5-8,16H2,1H3;1H
InChIKeyBHCOKNQEHSOJLR-UHFFFAOYSA-N
XLogP2.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;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-(2,4-dichloro-3-fluorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120719012
[1-(5-chlorothiophen-2-yl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 112622460
[1-(5-chloro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718976
[1-(2-fluoro-6-nitrophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718884
[4-methoxy-1-(1H-pyrrol-3-ylsulfonyl)piperidin-2-yl]methanamine
CID 112622437
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718961
[1-[4-[(dimethylamino)methyl]phenyl]sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120876159
[1-(5-bromo-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718751
[1-(5-fluoro-2-methylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride
CID 120718980
[1-(4-butan-2-ylphenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine
CID 120718960
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methoxypiperidin-2-yl]methanamine
CID 120718968

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride (CID 120718815) is [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride is COC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C(CN)C1.Cl.
What is the InChIKey of [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is BHCOKNQEHSOJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O3S.ClH/c1-20-10-5-6-17(9(7-10)8-16)21(18,19)13-11(14)3-2-4-12(13)15;/h2-4,9-10H,5-8,16H2,1H3;1H.
What are the key properties of [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride?
[1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 389.73 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)sulfonyl-4-methoxypiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120718815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).