1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine

C13H20N2O2S — CID 43120028

IUPAC1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC(N)C2)c(C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-13(11(2)8-10)18(16,17)15-7-3-4-12(14)9-15/h5-6,8,12H,3-4,7,9,14H2,1-2H3
InChIKeyDFCLLRATQLCLDR-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.42
Rot. Bonds2

About 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine

1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine (PubChem CID 43120028) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
PubChem CID43120028
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
SMILESCc1ccc(S(=O)(=O)N2CCCC(N)C2)c(C)c1
InChIInChI=1S/C13H20N2O2S/c1-10-5-6-13(11(2)8-10)18(16,17)15-7-3-4-12(14)9-15/h5-6,8,12H,3-4,7,9,14H2,1-2H3
InChIKeyDFCLLRATQLCLDR-UHFFFAOYSA-N
XLogP1.42
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
1-(4-bromo-2-methylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120705990
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
(1R)-1-[(3R)-1-(2,4-dimethylphenyl)sulfonylpiperidin-3-yl]ethanamine
CID 124557704
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
1-(2,4-dimethylphenyl)sulfonyl-3-ethylpiperidin-4-amine
CID 81458322
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
5-(3-aminopiperidin-1-yl)sulfonyl-2,4-dimethylbenzoic acid
CID 61404039
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
4-(2,4-dimethylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 56806267
(3R)-1-[(4-methyl-2-pyridinyl)sulfonyl]piperidin-3-amine
CID 97163020

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine (CID 43120028) is 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine is Cc1ccc(S(=O)(=O)N2CCCC(N)C2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is DFCLLRATQLCLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-5-6-13(11(2)8-10)18(16,17)15-7-3-4-12(14)9-15/h5-6,8,12H,3-4,7,9,14H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine?
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine has a molecular weight of 268.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 43120028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).