1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine

C14H14BrClN2S — CID 114866424

IUPAC1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1Sc1ncccc1Br
InChIInChI=1S/C14H14BrClN2S/c1-9(17)7-10-8-11(16)4-5-13(10)19-14-12(15)3-2-6-18-14/h2-6,8-9H,7,17H2,1H3
InChIKeyGZJJSYFAVCHOJY-UHFFFAOYSA-N
MW357.70 g/mol
LogP4.54
Rot. Bonds4

About 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine

1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine (PubChem CID 114866424) has the molecular formula C14H14BrClN2S and a molecular weight of 357.70 g/mol. Its IUPAC name is 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine
PubChem CID114866424
Molecular FormulaC14H14BrClN2S
Molecular Weight357.70 g/mol
Exact Mass355.97
IUPAC Name1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)ccc1Sc1ncccc1Br
InChIInChI=1S/C14H14BrClN2S/c1-9(17)7-10-8-11(16)4-5-13(10)19-14-12(15)3-2-6-18-14/h2-6,8-9H,7,17H2,1H3
InChIKeyGZJJSYFAVCHOJY-UHFFFAOYSA-N
XLogP4.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.70
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine?
The IUPAC name of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine (CID 114866424) is 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine is CC(N)Cc1cc(Cl)ccc1Sc1ncccc1Br.
What is the InChIKey of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine?
The InChIKey is GZJJSYFAVCHOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN2S/c1-9(17)7-10-8-11(16)4-5-13(10)19-14-12(15)3-2-6-18-14/h2-6,8-9H,7,17H2,1H3.
What are the key properties of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine?
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine has a molecular weight of 357.70 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine is sourced from PubChem (CID 114866424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).