1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine

C15H17BrN2S — CID 80650885

IUPAC1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccc(Br)cc2)nc1
InChIInChI=1S/C15H17BrN2S/c1-2-13(17)9-11-3-8-15(18-10-11)19-14-6-4-12(16)5-7-14/h3-8,10,13H,2,9,17H2,1H3
InChIKeyKIQMECHLEQXMQC-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.28
Rot. Bonds5

About 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine

1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine (PubChem CID 80650885) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine
PubChem CID80650885
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ccc(Br)cc2)nc1
InChIInChI=1S/C15H17BrN2S/c1-2-13(17)9-11-3-8-15(18-10-11)19-14-6-4-12(16)5-7-14/h3-8,10,13H,2,9,17H2,1H3
InChIKeyKIQMECHLEQXMQC-UHFFFAOYSA-N
XLogP4.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651549
1-[6-(1-methylpyrazol-4-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80645212
1-[6-(2-fluorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 80651373
1-(6-pyridin-2-ylsulfanyl-3-pyridinyl)butan-2-amine
CID 80650790
1-[2-[(4-bromophenyl)sulfanylmethyl]pyrimidin-5-yl]butan-2-amine
CID 66055534
[6-(4-bromophenyl)sulfanyl-3-pyridinyl]methanol
CID 80650862
1-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]propan-2-amine
CID 80643952
1-[6-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]butan-2-amine
CID 107783670
1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)propan-2-amine
CID 80644829
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63819825
1-[6-(1H-benzimidazol-2-ylsulfanyl)-3-pyridinyl]butan-2-amine
CID 80640002
1-[6-[(5-chloro-2-pyridinyl)sulfanyl]-5-methyl-3-pyridinyl]butan-2-amine
CID 80644336

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine (CID 80650885) is 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Sc2ccc(Br)cc2)nc1.
What is the InChIKey of 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
The InChIKey is KIQMECHLEQXMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-2-13(17)9-11-3-8-15(18-10-11)19-14-6-4-12(16)5-7-14/h3-8,10,13H,2,9,17H2,1H3.
What are the key properties of 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine?
1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine has a molecular weight of 337.29 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-bromophenyl)sulfanyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80650885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).