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

C15H18N2O2S — CID 64698793

IUPAC[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccc(S(=O)(=O)Cc2ccnc(CN)c2)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-3-4-15(12(2)7-11)20(18,19)10-13-5-6-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyCUOCYLXDNNRDCX-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.13
Rot. Bonds4

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

[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine (PubChem CID 64698793) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
PubChem CID64698793
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccc(S(=O)(=O)Cc2ccnc(CN)c2)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-3-4-15(12(2)7-11)20(18,19)10-13-5-6-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyCUOCYLXDNNRDCX-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

[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64699397
[4-[(2-bromophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697399
[3-chloro-4-[(2,4-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670576
4-[(2-amino-4-methylphenyl)sulfonylmethyl]pyridine-2-carbonitrile
CID 81191591
4-[(2,5-dimethylphenyl)sulfonylmethyl]pyridine
CID 91652487
[4-(cyclopropylsulfonylmethyl)-2-pyridinyl]methanamine
CID 167386346
[4-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697151
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
2-(2,4-dimethylphenyl)sulfonylethanethiol
CID 117036897
2-[(3,5-dimethylphenyl)methylsulfonyl]-5-methylaniline
CID 81192314
[4-(2-methylsulfonylethylsulfinylmethyl)-2-pyridinyl]methanamine
CID 81328495
[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63887247

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine (CID 64698793) is [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine is Cc1ccc(S(=O)(=O)Cc2ccnc(CN)c2)c(C)c1.
What is the InChIKey of [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
The InChIKey is CUOCYLXDNNRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-3-4-15(12(2)7-11)20(18,19)10-13-5-6-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3.
What are the key properties of [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine?
[4-[(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 [4-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 64698793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).