4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C15H17BrN2S — CID 55192891

IUPAC4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CSc2ccccc2Br)ccn1
InChIInChI=1S/C15H17BrN2S/c1-2-8-17-15-10-12(7-9-18-15)11-19-14-6-4-3-5-13(14)16/h3-7,9-10H,2,8,11H2,1H3,(H,17,18)
InChIKeyAKXIWKNSTPSKCV-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.96
Rot. Bonds6

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

4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 55192891) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID55192891
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(CSc2ccccc2Br)ccn1
InChIInChI=1S/C15H17BrN2S/c1-2-8-17-15-10-12(7-9-18-15)11-19-14-6-4-3-5-13(14)16/h3-7,9-10H,2,8,11H2,1H3,(H,17,18)
InChIKeyAKXIWKNSTPSKCV-UHFFFAOYSA-N
XLogP4.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 55192891) is 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1cc(CSc2ccccc2Br)ccn1.
What is the InChIKey of 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is AKXIWKNSTPSKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-2-8-17-15-10-12(7-9-18-15)11-19-14-6-4-3-5-13(14)16/h3-7,9-10H,2,8,11H2,1H3,(H,17,18).
What are the key properties of 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 337.29 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 55192891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).