1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine

C14H14Br2N2S — CID 104802808

IUPAC1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
SMILESNC(CSc1cccc(Br)c1)Cc1cncc(Br)c1
InChIInChI=1S/C14H14Br2N2S/c15-11-2-1-3-14(6-11)19-9-13(17)5-10-4-12(16)8-18-7-10/h1-4,6-8,13H,5,9,17H2
InChIKeyYEPCNGXHPSQNSY-UHFFFAOYSA-N
MW402.16 g/mol
LogP4.27
Rot. Bonds5

About 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine

1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine (PubChem CID 104802808) has the molecular formula C14H14Br2N2S and a molecular weight of 402.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
PubChem CID104802808
Molecular FormulaC14H14Br2N2S
Molecular Weight402.16 g/mol
Exact Mass399.92
IUPAC Name1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
SMILESNC(CSc1cccc(Br)c1)Cc1cncc(Br)c1
InChIInChI=1S/C14H14Br2N2S/c15-11-2-1-3-14(6-11)19-9-13(17)5-10-4-12(16)8-18-7-10/h1-4,6-8,13H,5,9,17H2
InChIKeyYEPCNGXHPSQNSY-UHFFFAOYSA-N
XLogP4.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.16
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[(3-bromophenyl)sulfanylmethyl]pyridine
CID 115609057
1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66160000
1-(3-bromophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66159414
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876943
2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
CID 104810377
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
1-(3-bromophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 66160983
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 66158625
1-(3-bromophenyl)sulfanylhex-5-yn-2-amine
CID 66159023
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
1-(3-bromophenyl)sulfanylundecan-2-amine
CID 66161373
1-(3-bromophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66052300

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine (CID 104802808) is 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine is NC(CSc1cccc(Br)c1)Cc1cncc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine?
The InChIKey is YEPCNGXHPSQNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2S/c15-11-2-1-3-14(6-11)19-9-13(17)5-10-4-12(16)8-18-7-10/h1-4,6-8,13H,5,9,17H2.
What are the key properties of 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine?
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine has a molecular weight of 402.16 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine is sourced from PubChem (CID 104802808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).