[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone

C15H22N2O3S — CID 61205641

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCNCC1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C15H22N2O3S/c1-16-10-12-5-4-8-17(11-12)15(18)13-6-3-7-14(9-13)21(2,19)20/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3
InChIKeyLPDQUMYKDLIXPY-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.16
Rot. Bonds4

About [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone

[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 61205641) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID61205641
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCNCC1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1
InChIInChI=1S/C15H22N2O3S/c1-16-10-12-5-4-8-17(11-12)15(18)13-6-3-7-14(9-13)21(2,19)20/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3
InChIKeyLPDQUMYKDLIXPY-UHFFFAOYSA-N
XLogP1.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973
[3-(bromomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 80661180
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896
N-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119396945
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151
(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 63263866
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
N-(cyclopropylmethyl)-3-(3-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 55655065
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 114802108

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 61205641) is [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone is CNCC1CCCN(C(=O)c2cccc(S(C)(=O)=O)c2)C1.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is LPDQUMYKDLIXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-16-10-12-5-4-8-17(11-12)15(18)13-6-3-7-14(9-13)21(2,19)20/h3,6-7,9,12,16H,4-5,8,10-11H2,1-2H3.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone?
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone has a molecular weight of 310.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 61205641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).