1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

C14H23ClN2O2S — CID 119984112

IUPAC1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)cc1C.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-10-4-5-13(8-11(10)2)19(17,18)16-7-6-14(15)12(3)9-16;/h4-5,8,12,14H,6-7,9,15H2,1-3H3;1H
InChIKeyKLHVMLVVPWYPNJ-UHFFFAOYSA-N
MW318.87 g/mol
LogP2.08
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride

1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119984112) has the molecular formula C14H23ClN2O2S and a molecular weight of 318.87 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119984112
Molecular FormulaC14H23ClN2O2S
Molecular Weight318.87 g/mol
Exact Mass318.12
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)cc1C.Cl
InChIInChI=1S/C14H22N2O2S.ClH/c1-10-4-5-13(8-11(10)2)19(17,18)16-7-6-14(15)12(3)9-16;/h4-5,8,12,14H,6-7,9,15H2,1-3H3;1H
InChIKeyKLHVMLVVPWYPNJ-UHFFFAOYSA-N
XLogP2.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.87
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;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-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984110
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
3-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984054
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984003
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
3-methyl-1-(4-nitrophenyl)sulfonylpiperidin-4-amine
CID 79867888
3-(4-amino-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile;hydrochloride
CID 119984082
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride (CID 119984112) is 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)cc1C.Cl.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is KLHVMLVVPWYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S.ClH/c1-10-4-5-13(8-11(10)2)19(17,18)16-7-6-14(15)12(3)9-16;/h4-5,8,12,14H,6-7,9,15H2,1-3H3;1H.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride?
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 318.87 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119984112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).