5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine

C14H15BrN2OS — CID 71862327

IUPAC5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
SMILESCN(Cc1ccc(S(C)=O)cc1)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2OS/c1-17(14-8-5-12(15)9-16-14)10-11-3-6-13(7-4-11)19(2)18/h3-9H,10H2,1-2H3
InChIKeyWHJWVCLMZWRHAH-UHFFFAOYSA-N
MW339.26 g/mol
LogP3.22
Rot. Bonds4

About 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine

5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine (PubChem CID 71862327) has the molecular formula C14H15BrN2OS and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
PubChem CID71862327
Molecular FormulaC14H15BrN2OS
Molecular Weight339.26 g/mol
Exact Mass338.01
IUPAC Name5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine
SMILESCN(Cc1ccc(S(C)=O)cc1)c1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2OS/c1-17(14-8-5-12(15)9-16-14)10-11-3-6-13(7-4-11)19(2)18/h3-9H,10H2,1-2H3
InChIKeyWHJWVCLMZWRHAH-UHFFFAOYSA-N
XLogP3.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine (CID 71862327) is 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine is CN(Cc1ccc(S(C)=O)cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
The InChIKey is WHJWVCLMZWRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2OS/c1-17(14-8-5-12(15)9-16-14)10-11-3-6-13(7-4-11)19(2)18/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine?
5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine has a molecular weight of 339.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(4-methylsulfinylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71862327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).