N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine

C16H20N2O2S — CID 105006568

IUPACN-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(S(C)(=O)=O)c1)c1cnccc1C
InChIInChI=1S/C16H20N2O2S/c1-4-18-16(15-11-17-9-8-12(15)2)13-6-5-7-14(10-13)21(3,19)20/h5-11,16,18H,4H2,1-3H3
InChIKeyHHIHDOXYZASJPD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds5

About N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine

N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine (PubChem CID 105006568) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine
PubChem CID105006568
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(S(C)(=O)=O)c1)c1cnccc1C
InChIInChI=1S/C16H20N2O2S/c1-4-18-16(15-11-17-9-8-12(15)2)13-6-5-7-14(10-13)21(3,19)20/h5-11,16,18H,4H2,1-3H3
InChIKeyHHIHDOXYZASJPD-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(4-bromo-3,5-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 114330731
N-[(3-fluoro-4-pyridinyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 105038426
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)butan-1-amine
CID 115782739
N-[(3-ethyl-2-pyridinyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 82729895
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
1-[[(2,5-dimethylphenyl)-(3-methylsulfonylphenyl)methyl]amino]propan-2-ol
CID 110010074
N-[(2-chloro-3-methylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 105006456
N-ethyl-4-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115834610
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
[(4-methyl-3-pyridinyl)-(3-propylphenyl)methyl]hydrazine
CID 105279913

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine (CID 105006568) is N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine is CCNC(c1cccc(S(C)(=O)=O)c1)c1cnccc1C.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine?
The InChIKey is HHIHDOXYZASJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-18-16(15-11-17-9-8-12(15)2)13-6-5-7-14(10-13)21(3,19)20/h5-11,16,18H,4H2,1-3H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine?
N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine has a molecular weight of 304.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)-(3-methylsulfonylphenyl)methyl]ethanamine is sourced from PubChem (CID 105006568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).