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

C13H19ClN2O2S — CID 115312553

IUPAC1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)CC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-13(12(14)7-9)19(17,18)16-6-5-11(15)8-10(16)2/h3-4,7,10-11H,5-6,8,15H2,1-2H3
InChIKeyXRIDSPSNWAKPPE-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.15
Rot. Bonds2

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

1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine (PubChem CID 115312553) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
PubChem CID115312553
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)CC2C)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-9-3-4-13(12(14)7-9)19(17,18)16-6-5-11(15)8-10(16)2/h3-4,7,10-11H,5-6,8,15H2,1-2H3
InChIKeyXRIDSPSNWAKPPE-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-2-methylpiperidin-4-amine
CID 124694863
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidine-4-carboxylic acid
CID 106742383
1-(4-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312471
1-(2-chloro-4-methylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959179
1-(5-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312528
2-methyl-1-(3-methylphenyl)sulfonylpiperidin-4-amine
CID 113284464
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine
CID 62672958
(2S)-1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120717060
4-(4-amino-2-methylpiperidin-1-yl)sulfonyl-3-methylbenzonitrile
CID 103829091
(2R,4S)-1-(4-bromo-2,5-dimethylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 125420055
1-(2-chloro-4-methylphenyl)sulfonyl-5-methylpiperidin-3-amine
CID 79992997

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine (CID 115312553) is 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(N)CC2C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine?
The InChIKey is XRIDSPSNWAKPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-9-3-4-13(12(14)7-9)19(17,18)16-6-5-11(15)8-10(16)2/h3-4,7,10-11H,5-6,8,15H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine?
1-(2-chloro-4-methylphenyl)sulfonyl-2-methylpiperidin-4-amine has a molecular weight of 302.83 g/mol, XLogP of 2.15, 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-2-methylpiperidin-4-amine is sourced from PubChem (CID 115312553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).