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

C13H19ClN2O2S — CID 79868073

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-13(11(14)7-9)19(17,18)16-6-5-12(15)10(2)8-16/h3-4,7,10,12H,5-6,8,15H2,1-2H3
InChIKeyGLRJQCFOLGTCQJ-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.01
Rot. Bonds2

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

1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine (PubChem CID 79868073) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
PubChem CID79868073
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-13(11(14)7-9)19(17,18)16-6-5-12(15)10(2)8-16/h3-4,7,10,12H,5-6,8,15H2,1-2H3
InChIKeyGLRJQCFOLGTCQJ-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

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680582
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
1-(2,4-dibromophenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868686
1-[1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanamine;hydrochloride
CID 120583142
1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997
(1S)-1-[(3S)-1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124678238
1-(4-chloro-2-nitrophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984069
N-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 51339666

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine (CID 79868073) is 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(N)C(C)C2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
The InChIKey is GLRJQCFOLGTCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-3-4-13(11(14)7-9)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-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine?
1-(2-chloro-4-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-(2-chloro-4-methylphenyl)sulfonyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 79868073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).