1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol

C12H17BrN2O2S — CID 84600753

IUPAC1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CSc1ncccc1Br)CN1CCOCC1
InChIInChI=1S/C12H17BrN2O2S/c13-11-2-1-3-14-12(11)18-9-10(16)8-15-4-6-17-7-5-15/h1-3,10,16H,4-9H2
InChIKeyJCYSFHAUKLNLTJ-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.63
Rot. Bonds5

About 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol

1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol (PubChem CID 84600753) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol
PubChem CID84600753
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol
SMILESOC(CSc1ncccc1Br)CN1CCOCC1
InChIInChI=1S/C12H17BrN2O2S/c13-11-2-1-3-14-12(11)18-9-10(16)8-15-4-6-17-7-5-15/h1-3,10,16H,4-9H2
InChIKeyJCYSFHAUKLNLTJ-UHFFFAOYSA-N
XLogP1.63
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol (CID 84600753) is 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol is OC(CSc1ncccc1Br)CN1CCOCC1.
What is the InChIKey of 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is JCYSFHAUKLNLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-11-2-1-3-14-12(11)18-9-10(16)8-15-4-6-17-7-5-15/h1-3,10,16H,4-9H2.
What are the key properties of 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol?
1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 333.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-pyridinyl)sulfanyl]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 84600753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).