1-(4-methylphenyl)sulfonylpiperidin-4-amine

C12H18N2O2S — CID 4778225

IUPAC1-(4-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-10-2-4-12(5-3-10)17(15,16)14-8-6-11(13)7-9-14/h2-5,11H,6-9,13H2,1H3
InChIKeyDSHYCTJDCZLVLE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.11
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylpiperidin-4-amine

1-(4-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 4778225) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID4778225
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(4-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-10-2-4-12(5-3-10)17(15,16)14-8-6-11(13)7-9-14/h2-5,11H,6-9,13H2,1H3
InChIKeyDSHYCTJDCZLVLE-UHFFFAOYSA-N
XLogP1.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(4-methylphenyl)sulfonylpiperidin-4-amine (CID 4778225) is 1-(4-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(4-methylphenyl)sulfonylpiperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is DSHYCTJDCZLVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-2-4-12(5-3-10)17(15,16)14-8-6-11(13)7-9-14/h2-5,11H,6-9,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylpiperidin-4-amine?
1-(4-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 254.35 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 4778225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).