1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine

C13H19ClN2O2S — CID 79868262

IUPAC1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-6-5-12(15)10(2)8-16/h3-4,7,10,12H,5-6,8,15H2,1-2H3
InChIKeyYSRBJSUSZRAEGC-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.01
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine

1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine (PubChem CID 79868262) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
PubChem CID79868262
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-6-5-12(15)10(2)8-16/h3-4,7,10,12H,5-6,8,15H2,1-2H3
InChIKeyYSRBJSUSZRAEGC-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine 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-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576451
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971677
3-(4-amino-3-methylpiperidin-1-yl)sulfonyl-4-methylbenzonitrile;hydrochloride
CID 119984082
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868073
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030456
1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984069
1-(3,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984112
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
1-(3,4-difluorophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868603

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine (CID 79868262) is 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(N)C(C)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The InChIKey is YSRBJSUSZRAEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-3-4-11(14)7-13(9)19(17,18)16-6-5-12(15)10(2)8-16/h3-4,7,10,12H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine has a molecular weight of 302.83 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 79868262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).