4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide

C17H20BrNS — CID 155550753

IUPAC4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide
SMILESBr.CN1CCSC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H19NS.BrH/c1-18-11-12-19-17(13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-10,17H,11-13H2,1H3;1H
InChIKeyKLSMDUGADBHQPE-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.65
Rot. Bonds2

About 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide

4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide (PubChem CID 155550753) has the molecular formula C17H20BrNS and a molecular weight of 350.32 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide.

Molecular Properties

Compound Name4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide
PubChem CID155550753
Molecular FormulaC17H20BrNS
Molecular Weight350.32 g/mol
Exact Mass349.05
IUPAC Name4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide
SMILESBr.CN1CCSC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C17H19NS.BrH/c1-18-11-12-19-17(13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-10,17H,11-13H2,1H3;1H
InChIKeyKLSMDUGADBHQPE-UHFFFAOYSA-N
XLogP4.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide?
The IUPAC name of 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide (CID 155550753) is 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide.
What is the SMILES notation for 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide?
The canonical SMILES for 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide is Br.CN1CCSC(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide?
The InChIKey is KLSMDUGADBHQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS.BrH/c1-18-11-12-19-17(13-18)16-9-7-15(8-10-16)14-5-3-2-4-6-14;/h2-10,17H,11-13H2,1H3;1H.
What are the key properties of 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide?
4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide has a molecular weight of 350.32 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylphenyl)thiomorpholine;hydrobromide is sourced from PubChem (CID 155550753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).