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

N-pent-4-en-2-yl-1-phenylpiperidin-4-amine
CID 103902346
1-methyl-N-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 64630112
N-[1-(benzenesulfonyl)propan-2-yl]cyclopropanamine
CID 115903384
N-(4-ethylsulfanylbutan-2-yl)-1-phenylpiperidin-4-amine
CID 103787492
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222
N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
CID 42451286
ethyl 4-(1-methylsulfonylpropan-2-ylamino)piperidine-1-carboxylate
CID 64628906
[4-(1-methylsulfonylpropan-2-ylamino)cyclohexyl]carbamic acid
CID 121379155
N-(4-methylpentan-2-yl)-1-pyridin-4-ylpiperidin-4-amine
CID 43371759
N-(1-methoxybutan-2-yl)-1-phenylpiperidin-4-amine
CID 103778420
3-(2-bromophenyl)-N-(1-methylsulfonylpropan-2-yl)cyclobutan-1-amine
CID 64629588

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).