[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone

C15H22N2O3S — CID 107160125

IUPAC[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(11-16)6-8-17(9-7-15)14(18)12-4-3-5-13(10-12)21(2,19)20/h3-5,10H,6-9,11,16H2,1-2H3
InChIKeyXVOSMXNAERMVMA-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.29
Rot. Bonds3

About [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 107160125) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID107160125
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCC1(CN)CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(11-16)6-8-17(9-7-15)14(18)12-4-3-5-13(10-12)21(2,19)20/h3-5,10H,6-9,11,16H2,1-2H3
InChIKeyXVOSMXNAERMVMA-UHFFFAOYSA-N
XLogP1.29
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 107160093
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 114802108
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 120807745
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 120806019
[4-(2,2-dimethylpropyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 110313619
(3-aminoazetidin-1-yl)-(3-methylsulfonylphenyl)methanone
CID 63753281
[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63157358
4-methyl-1-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]pentan-1-one
CID 55922896
[4-(ethylamino)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 60819092
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N,N-dimethylbenzamide;hydrochloride
CID 120808264

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 107160125) is [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone is CC1(CN)CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1.
What is the InChIKey of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is XVOSMXNAERMVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(11-16)6-8-17(9-7-15)14(18)12-4-3-5-13(10-12)21(2,19)20/h3-5,10H,6-9,11,16H2,1-2H3.
What are the key properties of [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 310.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 107160125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).