2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide

C20H26BrNOS — CID 3060800

IUPAC2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide
SMILESBr.CC(CN1CCSCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS.BrH/c1-17(16-21-12-14-23-15-13-21)20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,22H,12-16H2,1H3;1H
InChIKeyPMWWJPFJUAXYKD-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.19
Rot. Bonds5

About 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide

2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide (PubChem CID 3060800) has the molecular formula C20H26BrNOS and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide.

Molecular Properties

Compound Name2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide
PubChem CID3060800
Molecular FormulaC20H26BrNOS
Molecular Weight408.41 g/mol
Exact Mass407.09
IUPAC Name2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide
SMILESBr.CC(CN1CCSCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NOS.BrH/c1-17(16-21-12-14-23-15-13-21)20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,22H,12-16H2,1H3;1H
InChIKeyPMWWJPFJUAXYKD-UHFFFAOYSA-N
XLogP4.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide?
The IUPAC name of 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide (CID 3060800) is 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide.
What is the SMILES notation for 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide?
The canonical SMILES for 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide is Br.CC(CN1CCSCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide?
The InChIKey is PMWWJPFJUAXYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS.BrH/c1-17(16-21-12-14-23-15-13-21)20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,22H,12-16H2,1H3;1H.
What are the key properties of 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide?
2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide has a molecular weight of 408.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol;hydrobromide is sourced from PubChem (CID 3060800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).