1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

C14H23ClN2O2S — CID 119980300

IUPAC1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11-4-5-12(2)14(10-11)19(17,18)16-8-6-13(15-3)7-9-16;/h4-5,10,13,15H,6-9H2,1-3H3;1H
InChIKeyDMSILZCMJDWJDZ-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.10
Rot. Bonds3

About 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride

1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 119980300) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
PubChem CID119980300
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-11-4-5-12(2)14(10-11)19(17,18)16-8-6-13(15-3)7-9-16;/h4-5,10,13,15H,6-9H2,1-3H3;1H
InChIKeyDMSILZCMJDWJDZ-UHFFFAOYSA-N
XLogP2.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]cyclohexanecarboxamide
CID 108559576
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-4-carboxamide
CID 108562425
1-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597096
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]furan-2-carboxamide
CID 108559603
1-(2,5-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941143
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 48737522
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 108562768
1-(2,5-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81104027
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride (CID 119980300) is 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1.Cl.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is DMSILZCMJDWJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-11-4-5-12(2)14(10-11)19(17,18)16-8-6-13(15-3)7-9-16;/h4-5,10,13,15H,6-9H2,1-3H3;1H.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride?
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119980300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).