1-thiomorpholin-4-ylethanone

C6H11NOS — CID 12517840

IUPAC1-thiomorpholin-4-ylethanone
SMILESCC(=O)N1CCSCC1
InChIInChI=1S/C6H11NOS/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3
InChIKeyLSKMHOJTZLJJQW-UHFFFAOYSA-N
MW145.23 g/mol
LogP0.58
Rot. Bonds

About 1-thiomorpholin-4-ylethanone

1-thiomorpholin-4-ylethanone (PubChem CID 12517840) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is 1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name1-thiomorpholin-4-ylethanone
PubChem CID12517840
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name1-thiomorpholin-4-ylethanone
SMILESCC(=O)N1CCSCC1
InChIInChI=1S/C6H11NOS/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3
InChIKeyLSKMHOJTZLJJQW-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methylthiomorpholine-3,5-dione
CID 238925
2-(Methylsulfanyl)-1-(thiomorpholin-4-yl)ethan-1-one
CID 131179282
N-(n-butyryl)thiomorpholine
CID 784954
Acetamide, N,N-diethyl-2-methylthio-
CID 139804
4-Methylthiomorpholin-3-one
CID 13606349
1-(4-Methylpiperazin-1-yl)-2-(methylthio)ethan-1-one
CID 60634814
1-(1,1-Dioxidothiomorpholino)ethanone
CID 15939312
2H-1,3-Thiazine, 3-acetyltetrahydro-(9CI)
CID 14296340
4-Ethyltetrahydro-1,4-thiazine-3,5-dione
CID 15506866
1-Thiomorpholin-4-yl-2-(trifluoromethylsulfanyl)ethanone
CID 51083055
2,2,2-Trifluoro-1-thiomorpholin-4-ylethanone
CID 62727859
2,2-Difluoro-1-thiomorpholin-4-ylethanone
CID 103515270

Frequently Asked Questions

What is the IUPAC name of 1-thiomorpholin-4-ylethanone?
The IUPAC name of 1-thiomorpholin-4-ylethanone (CID 12517840) is 1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 1-thiomorpholin-4-ylethanone?
The canonical SMILES for 1-thiomorpholin-4-ylethanone is CC(=O)N1CCSCC1.
What is the InChIKey of 1-thiomorpholin-4-ylethanone?
The InChIKey is LSKMHOJTZLJJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3.
What are the key properties of 1-thiomorpholin-4-ylethanone?
1-thiomorpholin-4-ylethanone has a molecular weight of 145.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 12517840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).