N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine

C15H24N2O2S — CID 103902239

IUPACN-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
SMILESCC(CS(C)(=O)=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-13(12-20(2,18)19)16-14-8-10-17(11-9-14)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3
InChIKeyJEOSGDZOCOXCKR-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.68
Rot. Bonds5

About N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine

N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine (PubChem CID 103902239) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
PubChem CID103902239
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine
SMILESCC(CS(C)(=O)=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H24N2O2S/c1-13(12-20(2,18)19)16-14-8-10-17(11-9-14)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3
InChIKeyJEOSGDZOCOXCKR-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(4-(Methylsulfonyl)phenyl)piperazine
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1-(Ethylsulfonyl)-4-phenylpiperazine
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CID 14998852
1-methyl-N-phenylpiperidin-4-amine
CID 89642
1-[2-Fluoro-4-(methylsulfonyl)phenyl]piperazine
CID 2782730
N-butyl-N-(1,1-dioxidotetrahydro-3-thienyl)-N'-phenylthiourea
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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine (CID 103902239) is N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine is CC(CS(C)(=O)=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine?
The InChIKey is JEOSGDZOCOXCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13(12-20(2,18)19)16-14-8-10-17(11-9-14)15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3.
What are the key properties of N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine?
N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103902239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).