4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine

C13H13BrN2S — CID 62804634

IUPAC4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CSc2cccc(Br)c2)ccn1
InChIInChI=1S/C13H13BrN2S/c1-15-13-7-10(5-6-16-13)9-17-12-4-2-3-11(14)8-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRQDZLAIOUZDXDM-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.18
Rot. Bonds4

About 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine

4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine (PubChem CID 62804634) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
PubChem CID62804634
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CSc2cccc(Br)c2)ccn1
InChIInChI=1S/C13H13BrN2S/c1-15-13-7-10(5-6-16-13)9-17-12-4-2-3-11(14)8-12/h2-8H,9H2,1H3,(H,15,16)
InChIKeyRQDZLAIOUZDXDM-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfanylmethyl)-N-methylpyridin-2-amine
CID 62466942
[4-[(3-bromophenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438773
2-[(3-bromophenyl)sulfanylmethyl]-4-chloropyridine
CID 79245716
N-[[3-[(3-bromophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 66349679
N-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-2-amine
CID 62467300
3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
2-bromo-4-[(3-bromophenyl)sulfanylmethyl]-1-methoxybenzene
CID 63458320
4-[(3-bromophenyl)sulfanylmethyl]aniline
CID 62805320
N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine
CID 107756511
4-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 62468749
N-methyl-4-[(2-methylphenyl)methylsulfanylmethyl]pyridin-2-amine
CID 55113262
2-[(3-bromophenyl)sulfanylmethyl]pyrimidine-4-carboxylic acid
CID 66161023

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine (CID 62804634) is 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine is CNc1cc(CSc2cccc(Br)c2)ccn1.
What is the InChIKey of 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
The InChIKey is RQDZLAIOUZDXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c1-15-13-7-10(5-6-16-13)9-17-12-4-2-3-11(14)8-12/h2-8H,9H2,1H3,(H,15,16).
What are the key properties of 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine?
4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine has a molecular weight of 309.23 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)sulfanylmethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 62804634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).