1-(2-methylsulfonylphenyl)piperidin-4-amine

C12H18N2O2S — CID 43453477

IUPAC1-(2-methylsulfonylphenyl)piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1N1CCC(N)CC1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)12-5-3-2-4-11(12)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3
InChIKeyWENMMZGNVSOXRM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.02
Rot. Bonds2

About 1-(2-methylsulfonylphenyl)piperidin-4-amine

1-(2-methylsulfonylphenyl)piperidin-4-amine (PubChem CID 43453477) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(2-methylsulfonylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylsulfonylphenyl)piperidin-4-amine
PubChem CID43453477
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(2-methylsulfonylphenyl)piperidin-4-amine
SMILESCS(=O)(=O)c1ccccc1N1CCC(N)CC1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)12-5-3-2-4-11(12)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3
InChIKeyWENMMZGNVSOXRM-UHFFFAOYSA-N
XLogP1.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylphenyl)piperidin-4-amine?
The IUPAC name of 1-(2-methylsulfonylphenyl)piperidin-4-amine (CID 43453477) is 1-(2-methylsulfonylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methylsulfonylphenyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methylsulfonylphenyl)piperidin-4-amine is CS(=O)(=O)c1ccccc1N1CCC(N)CC1.
What is the InChIKey of 1-(2-methylsulfonylphenyl)piperidin-4-amine?
The InChIKey is WENMMZGNVSOXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)12-5-3-2-4-11(12)14-8-6-10(13)7-9-14/h2-5,10H,6-9,13H2,1H3.
What are the key properties of 1-(2-methylsulfonylphenyl)piperidin-4-amine?
1-(2-methylsulfonylphenyl)piperidin-4-amine has a molecular weight of 254.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylphenyl)piperidin-4-amine is sourced from PubChem (CID 43453477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).