1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone

C15H21NO2S — CID 16725062

IUPAC1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone
SMILESCC(C)c1ccc(SCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12(2)13-3-5-14(6-4-13)19-11-15(17)16-7-9-18-10-8-16/h3-6,12H,7-11H2,1-2H3
InChIKeyATHBYWJACADYGI-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.76
Rot. Bonds4

About 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone

1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone (PubChem CID 16725062) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone
PubChem CID16725062
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone
SMILESCC(C)c1ccc(SCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H21NO2S/c1-12(2)13-3-5-14(6-4-13)19-11-15(17)16-7-9-18-10-8-16/h3-6,12H,7-11H2,1-2H3
InChIKeyATHBYWJACADYGI-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone (CID 16725062) is 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone is CC(C)c1ccc(SCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone?
The InChIKey is ATHBYWJACADYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-12(2)13-3-5-14(6-4-13)19-11-15(17)16-7-9-18-10-8-16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone?
1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone has a molecular weight of 279.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone is sourced from PubChem (CID 16725062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).