2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine

C14H16N2O2S — CID 16641343

IUPAC2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
SMILESCc1ccc(S(=O)(=O)C(CN)c2cccnc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-4-6-13(7-5-11)19(17,18)14(9-15)12-3-2-8-16-10-12/h2-8,10,14H,9,15H2,1H3
InChIKeyLIZZJJAHNUGKEJ-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.86
Rot. Bonds4

About 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine

2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine (PubChem CID 16641343) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
PubChem CID16641343
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine
SMILESCc1ccc(S(=O)(=O)C(CN)c2cccnc2)cc1
InChIInChI=1S/C14H16N2O2S/c1-11-4-6-13(7-5-11)19(17,18)14(9-15)12-3-2-8-16-10-12/h2-8,10,14H,9,15H2,1H3
InChIKeyLIZZJJAHNUGKEJ-UHFFFAOYSA-N
XLogP1.86
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethanamine;dihydrochloride
CID 20982708
(2S)-2-(3-methylphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9161851
N-ethyl-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155037
N-methyl-N'-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155029
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]butane-1-sulfonamide
CID 9154520
3-[isocyano-(4-methylphenyl)sulfonylmethyl]pyridine
CID 52987637
2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 16642237
3-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]propanamide
CID 9154652
N'-[(2R)-butan-2-yl]-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155188
N-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]pyridine-2-carboxamide
CID 9154878
N-(2-methoxyethyl)-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethyl]oxamide
CID 9155285
(2R)-2-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)ethanamine
CID 9161877

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine (CID 16641343) is 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine is Cc1ccc(S(=O)(=O)C(CN)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine?
The InChIKey is LIZZJJAHNUGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-4-6-13(7-5-11)19(17,18)14(9-15)12-3-2-8-16-10-12/h2-8,10,14H,9,15H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine?
2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine has a molecular weight of 276.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-2-pyridin-3-ylethanamine is sourced from PubChem (CID 16641343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).