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

C15H18N2OS — CID 81329204

IUPAC[4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccc(S(=O)Cc2ccnc(CN)c2)cc1C
InChIInChI=1S/C15H18N2OS/c1-11-3-4-15(7-12(11)2)19(18)10-13-5-6-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyHBNRUPLLOIPIGS-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.46
Rot. Bonds4

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

[4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine (PubChem CID 81329204) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine
PubChem CID81329204
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name[4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine
SMILESCc1ccc(S(=O)Cc2ccnc(CN)c2)cc1C
InChIInChI=1S/C15H18N2OS/c1-11-3-4-15(7-12(11)2)19(18)10-13-5-6-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyHBNRUPLLOIPIGS-UHFFFAOYSA-N
XLogP2.46
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine (CID 81329204) is [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine is Cc1ccc(S(=O)Cc2ccnc(CN)c2)cc1C.
What is the InChIKey of [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine?
The InChIKey is HBNRUPLLOIPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-3-4-15(7-12(11)2)19(18)10-13-5-6-17-14(8-13)9-16/h3-8H,9-10,16H2,1-2H3.
What are the key properties of [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine?
[4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine has a molecular weight of 274.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylphenyl)sulfinylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 81329204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).