[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine

C13H18Cl2N2O2S — CID 114960842

IUPAC[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1CN
InChIInChI=1S/C13H18Cl2N2O2S/c1-9-4-5-17(8-10(9)7-16)20(18,19)13-6-11(14)2-3-12(13)15/h2-3,6,9-10H,4-5,7-8,16H2,1H3
InChIKeyMKKUSXDVMIEWKU-UHFFFAOYSA-N
MW337.27 g/mol
LogP2.60
Rot. Bonds3

About [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine

[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960842) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
PubChem CID114960842
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1CN
InChIInChI=1S/C13H18Cl2N2O2S/c1-9-4-5-17(8-10(9)7-16)20(18,19)13-6-11(14)2-3-12(13)15/h2-3,6,9-10H,4-5,7-8,16H2,1H3
InChIKeyMKKUSXDVMIEWKU-UHFFFAOYSA-N
XLogP2.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-4-chlorobenzonitrile
CID 114960756
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960870
1-(2,5-dichlorophenyl)sulfonyl-3-phenylpyrrolidine
CID 2859681

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine (CID 114960842) is [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine is CC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1CN.
What is the InChIKey of [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The InChIKey is MKKUSXDVMIEWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-9-4-5-17(8-10(9)7-16)20(18,19)13-6-11(14)2-3-12(13)15/h2-3,6,9-10H,4-5,7-8,16H2,1H3.
What are the key properties of [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine has a molecular weight of 337.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).