[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine

C15H24N2O2S — CID 103441395

IUPAC[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)CCc2ccccc2)C(CN)C1
InChIInChI=1S/C15H24N2O2S/c1-13-7-9-17(15(11-13)12-16)20(18,19)10-8-14-5-3-2-4-6-14/h2-6,13,15H,7-12,16H2,1H3
InChIKeyVOHHZGPMEVJKJM-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.62
Rot. Bonds5

About [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine

[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine (PubChem CID 103441395) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
PubChem CID103441395
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine
SMILESCC1CCN(S(=O)(=O)CCc2ccccc2)C(CN)C1
InChIInChI=1S/C15H24N2O2S/c1-13-7-9-17(15(11-13)12-16)20(18,19)10-8-14-5-3-2-4-6-14/h2-6,13,15H,7-12,16H2,1H3
InChIKeyVOHHZGPMEVJKJM-UHFFFAOYSA-N
XLogP1.62
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
[4-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 103441467
[4-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]piperidin-2-yl]methanamine
CID 103441474
[1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441530
2-(aminomethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 103441437
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
[1-(2,5-difluorophenyl)sulfonyl-4-methylpiperidin-2-yl]methanamine
CID 103441489
[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62332486
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
[4-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]methanamine
CID 103441502

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine (CID 103441395) is [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine is CC1CCN(S(=O)(=O)CCc2ccccc2)C(CN)C1.
What is the InChIKey of [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine?
The InChIKey is VOHHZGPMEVJKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13-7-9-17(15(11-13)12-16)20(18,19)10-8-14-5-3-2-4-6-14/h2-6,13,15H,7-12,16H2,1H3.
What are the key properties of [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine?
[4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2-phenylethylsulfonyl)piperidin-2-yl]methanamine is sourced from PubChem (CID 103441395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).