[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine

C15H18N2O2S — CID 64699397

IUPAC[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccc(S(=O)(=O)Cc2cccnc2CN)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-6-15(12(2)8-11)20(18,19)10-13-4-3-7-17-14(13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeySNUGFRKOEVKPQG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.13
Rot. Bonds4

About [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine

[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine (PubChem CID 64699397) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
PubChem CID64699397
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccc(S(=O)(=O)Cc2cccnc2CN)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-6-15(12(2)8-11)20(18,19)10-13-4-3-7-17-14(13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeySNUGFRKOEVKPQG-UHFFFAOYSA-N
XLogP2.13
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64698793
[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64698646
[3-chloro-4-[(2,4-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670576
[3-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697383
[2-[(2,4-dimethylphenoxy)methyl]-3-pyridinyl]methanamine
CID 114199212
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine
CID 103291310
2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
CID 157436995
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
[3-(oxan-4-ylsulfonylmethyl)-2-pyridinyl]methanamine
CID 64698078
3-fluoro-4-[(3-methyl-2-pyridinyl)methylsulfonyl]aniline
CID 112651599
2-[(2,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81193184

Frequently Asked Questions

What is the IUPAC name of [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine (CID 64699397) is [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine is Cc1ccc(S(=O)(=O)Cc2cccnc2CN)c(C)c1.
What is the InChIKey of [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The InChIKey is SNUGFRKOEVKPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-5-6-15(12(2)8-11)20(18,19)10-13-4-3-7-17-14(13)9-16/h3-8H,9-10,16H2,1-2H3.
What are the key properties of [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine has a molecular weight of 290.39 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 64699397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).