1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol

C13H17BrClNOS — CID 82781081

IUPAC1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
SMILESOC(CCN1CCSCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNOS/c14-10-1-2-11(12(15)9-10)13(17)3-4-16-5-7-18-8-6-16/h1-2,9,13,17H,3-8H2
InChIKeyPKWVHCYBEOQARE-UHFFFAOYSA-N
MW350.71 g/mol
LogP3.57
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol

1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol (PubChem CID 82781081) has the molecular formula C13H17BrClNOS and a molecular weight of 350.71 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
PubChem CID82781081
Molecular FormulaC13H17BrClNOS
Molecular Weight350.71 g/mol
Exact Mass348.99
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol
SMILESOC(CCN1CCSCC1)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNOS/c14-10-1-2-11(12(15)9-10)13(17)3-4-16-5-7-18-8-6-16/h1-2,9,13,17H,3-8H2
InChIKeyPKWVHCYBEOQARE-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.71
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-bromo-2-chlorophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 82780475
1-(4-bromo-2-chlorophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 82775693
1-(4-bromo-2-chlorophenyl)-N-ethyl-3-thiomorpholin-4-ylpropan-1-amine
CID 82779873
1-(4-bromo-2-chlorophenyl)-3-(4-ethylazepan-1-yl)propan-1-ol
CID 82776674
1-(4-bromo-2-chlorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 82781078
1-(4-bromo-2-chlorophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-ol
CID 82780908
1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 82781196
1-(4-bromo-2-chlorophenyl)-3-(3-methoxy-3-methylpiperidin-1-yl)propan-1-ol
CID 107395258
1-(4-bromo-2-chlorophenyl)-3-cyclopropylpropan-1-ol
CID 115810893
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
1-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502648
1-(4-bromo-2-chlorophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 82780236

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol (CID 82781081) is 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol is OC(CCN1CCSCC1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
The InChIKey is PKWVHCYBEOQARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNOS/c14-10-1-2-11(12(15)9-10)13(17)3-4-16-5-7-18-8-6-16/h1-2,9,13,17H,3-8H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol?
1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol has a molecular weight of 350.71 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-thiomorpholin-4-ylpropan-1-ol is sourced from PubChem (CID 82781081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).