3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one

C20H23NOS — CID 45227801

IUPAC3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESCc1ccccc1C(CC(=O)N1CCSCC1)c1ccccc1
InChIInChI=1S/C20H23NOS/c1-16-7-5-6-10-18(16)19(17-8-3-2-4-9-17)15-20(22)21-11-13-23-14-12-21/h2-10,19H,11-15H2,1H3
InChIKeyYIKDEZAKVZJEAI-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.09
Rot. Bonds4

About 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one

3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 45227801) has the molecular formula C20H23NOS and a molecular weight of 325.48 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
PubChem CID45227801
Molecular FormulaC20H23NOS
Molecular Weight325.48 g/mol
Exact Mass325.15
IUPAC Name3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one
SMILESCc1ccccc1C(CC(=O)N1CCSCC1)c1ccccc1
InChIInChI=1S/C20H23NOS/c1-16-7-5-6-10-18(16)19(17-8-3-2-4-9-17)15-20(22)21-11-13-23-14-12-21/h2-10,19H,11-15H2,1H3
InChIKeyYIKDEZAKVZJEAI-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one (CID 45227801) is 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one is Cc1ccccc1C(CC(=O)N1CCSCC1)c1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is YIKDEZAKVZJEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NOS/c1-16-7-5-6-10-18(16)19(17-8-3-2-4-9-17)15-20(22)21-11-13-23-14-12-21/h2-10,19H,11-15H2,1H3.
What are the key properties of 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one?
3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 325.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 45227801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).