2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one

C9H17NOS — CID 23557246

IUPAC2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCSCC1
InChIInChI=1S/C9H17NOS/c1-9(2,3)8(11)10-4-6-12-7-5-10/h4-7H2,1-3H3
InChIKeyANJQSXYVVJJIIN-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.61
Rot. Bonds

About 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one

2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one (PubChem CID 23557246) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one
PubChem CID23557246
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCSCC1
InChIInChI=1S/C9H17NOS/c1-9(2,3)8(11)10-4-6-12-7-5-10/h4-7H2,1-3H3
InChIKeyANJQSXYVVJJIIN-UHFFFAOYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Ethylpiperazin-1-yl)-2-methylsulfanylpropan-1-one
CID 51079912
N-(n-butyryl)thiomorpholine
CID 784954
1-(4-Methylpiperazin-1-yl)-3-(methylsulfanyl)propan-1-one
CID 40230934
2-Methyl-1-(4-methylpiperazin-1-yl)-3-(methylsulfanyl)propan-1-one
CID 145867349
3-Fluoro-2-methyl-1-thiomorpholin-4-ylpropan-1-one
CID 132137652
2,2,4-Trimethylthiomorpholine-3,5-dione
CID 257154
2-Methyl-3-athyl-4-acetylthiomorpholin
CID 12517847
1-(2,2-Dimethylthiomorpholin-4-yl)-2,2-difluoroethanone
CID 103516090
1-(2,2-Dimethylthiomorpholin-4-yl)-2,2,3,3-tetrafluoropropan-1-one
CID 103739962
1-(2,2-Dimethylthiomorpholin-4-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 108095564
1-(2,2-Dimethylthiomorpholin-4-yl)-2,2,2-trifluoroethanone
CID 115683435
3,3,3-Trifluoro-1-(2-methylthiomorpholin-4-yl)propan-1-one
CID 126769761

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one (CID 23557246) is 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one is CC(C)(C)C(=O)N1CCSCC1.
What is the InChIKey of 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one?
The InChIKey is ANJQSXYVVJJIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-9(2,3)8(11)10-4-6-12-7-5-10/h4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one?
2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one has a molecular weight of 187.31 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 23557246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).