(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine

C18H22N2O2S — CID 124692060

IUPAC(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine
SMILESC[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-14-13-16(19)11-12-20(14)23(21,22)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,14,16H,11-13,19H2,1H3/t14-,16+/m1/s1
InChIKeyCVNPSOAQVCOLSG-ZBFHGGJFSA-N
MW330.45 g/mol
LogP2.85
Rot. Bonds3

About (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine

(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine (PubChem CID 124692060) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine
PubChem CID124692060
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine
SMILESC[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H22N2O2S/c1-14-13-16(19)11-12-20(14)23(21,22)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,14,16H,11-13,19H2,1H3/t14-,16+/m1/s1
InChIKeyCVNPSOAQVCOLSG-ZBFHGGJFSA-N
XLogP2.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine (CID 124692060) is (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine is C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is CVNPSOAQVCOLSG-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-14-13-16(19)11-12-20(14)23(21,22)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,14,16H,11-13,19H2,1H3/t14-,16+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine?
(2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 330.45 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-1-(2-phenylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 124692060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).