2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone

C18H21NOS — CID 54573694

IUPAC2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
SMILESCCc1ccc2cc(CC(=O)C3CSCCN3)ccc2c1
InChIInChI=1S/C18H21NOS/c1-2-13-3-5-16-10-14(4-6-15(16)9-13)11-18(20)17-12-21-8-7-19-17/h3-6,9-10,17,19H,2,7-8,11-12H2,1H3
InChIKeyZZBWBCIWWDEDOQ-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.22
Rot. Bonds4

About 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone

2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone (PubChem CID 54573694) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
PubChem CID54573694
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
SMILESCCc1ccc2cc(CC(=O)C3CSCCN3)ccc2c1
InChIInChI=1S/C18H21NOS/c1-2-13-3-5-16-10-14(4-6-15(16)9-13)11-18(20)17-12-21-8-7-19-17/h3-6,9-10,17,19H,2,7-8,11-12H2,1H3
InChIKeyZZBWBCIWWDEDOQ-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609502
2-(2-methylphenyl)-1-thiomorpholin-3-ylethanone
CID 116609599
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609657
2-(2-chloro-4-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609601
2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
CID 105081689
2-(cyclopenten-1-yl)-1-thiomorpholin-3-ylethanone
CID 130857171
3-[(4-ethylphenyl)methyl]thiomorpholine
CID 82286776
2-(2-chloro-3-fluorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609666
2-(2-methyl-1,2,4-triazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609655
2-(1-ethylindazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609723

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone?
The IUPAC name of 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone (CID 54573694) is 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone.
What is the SMILES notation for 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone?
The canonical SMILES for 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone is CCc1ccc2cc(CC(=O)C3CSCCN3)ccc2c1.
What is the InChIKey of 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone?
The InChIKey is ZZBWBCIWWDEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-13-3-5-16-10-14(4-6-15(16)9-13)11-18(20)17-12-21-8-7-19-17/h3-6,9-10,17,19H,2,7-8,11-12H2,1H3.
What are the key properties of 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone?
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone has a molecular weight of 299.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone is sourced from PubChem (CID 54573694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).