[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

C13H20Cl2N2O2S — CID 119964008

IUPAC[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-10-8-12(14)2-3-13(10)19(17,18)16-6-4-11(9-15)5-7-16;/h2-3,8,11H,4-7,9,15H2,1H3;1H
InChIKeyIEMVSFOENXJZRH-UHFFFAOYSA-N
MW339.29 g/mol
LogP2.43
Rot. Bonds3

About [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride

[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (PubChem CID 119964008) has the molecular formula C13H20Cl2N2O2S and a molecular weight of 339.29 g/mol. Its IUPAC name is [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
PubChem CID119964008
Molecular FormulaC13H20Cl2N2O2S
Molecular Weight339.29 g/mol
Exact Mass338.06
IUPAC Name[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCC(CN)CC1.Cl
InChIInChI=1S/C13H19ClN2O2S.ClH/c1-10-8-12(14)2-3-13(10)19(17,18)16-6-4-11(9-15)5-7-16;/h2-3,8,11H,4-7,9,15H2,1H3;1H
InChIKeyIEMVSFOENXJZRH-UHFFFAOYSA-N
XLogP2.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120999453
3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992878
1-[1-(4-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263879
[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963911
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
methyl 4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-3-methylbenzoate
CID 119963969
1-(4-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031664
[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120707091
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
[1-(2-chloro-4-fluoro-5-methylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 119971913
1-[(3R)-1-(4-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-2,5-dihydropyrrole
CID 98194869
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960842

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride (CID 119964008) is [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(CN)CC1.Cl.
What is the InChIKey of [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
The InChIKey is IEMVSFOENXJZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S.ClH/c1-10-8-12(14)2-3-13(10)19(17,18)16-6-4-11(9-15)5-7-16;/h2-3,8,11H,4-7,9,15H2,1H3;1H.
What are the key properties of [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride?
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride has a molecular weight of 339.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119964008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).