N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine

C15H24N2O2S — CID 63854393

IUPACN-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-12(16-2)13-5-4-10-17(11-13)14-6-8-15(9-7-14)20(3,18)19/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyILWOEBKULIWBSO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.91
Rot. Bonds4

About N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine

N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine (PubChem CID 63854393) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
PubChem CID63854393
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
SMILESCNC(C)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C15H24N2O2S/c1-12(16-2)13-5-4-10-17(11-13)14-6-8-15(9-7-14)20(3,18)19/h6-9,12-13,16H,4-5,10-11H2,1-3H3
InChIKeyILWOEBKULIWBSO-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methylsulfonylphenyl)piperidin-3-amine
CID 62546364
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-yl]ethanamine
CID 63852993
4-(3-aminopyrrolidin-1-yl)-N-propan-2-ylbenzenesulfonamide
CID 62067887
N-methyl-1-[1-(2,3,4,5,6-pentafluorophenyl)piperidin-3-yl]ethanamine
CID 63853876
1-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylazepane
CID 136529901
4-(3-formylpiperidin-1-yl)-N-methylbenzenesulfonamide
CID 62664693
N-methyl-1-(1-pyridin-2-ylpiperidin-3-yl)ethanamine
CID 63853005
4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-propan-2-ylbenzenesulfonamide
CID 104892759
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530
N-ethyl-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115966637

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine (CID 63854393) is N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine is CNC(C)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine?
The InChIKey is ILWOEBKULIWBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(16-2)13-5-4-10-17(11-13)14-6-8-15(9-7-14)20(3,18)19/h6-9,12-13,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine?
N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63854393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).