4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one

C11H21NOS — CID 21060378

IUPAC4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)(C)CCC(=O)N1CCSCC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)5-4-10(13)12-6-8-14-9-7-12/h4-9H2,1-3H3
InChIKeyGNMCYEDBHABPPS-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.39
Rot. Bonds2

About 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one

4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one (PubChem CID 21060378) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one
PubChem CID21060378
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one
SMILESCC(C)(C)CCC(=O)N1CCSCC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)5-4-10(13)12-6-8-14-9-7-12/h4-9H2,1-3H3
InChIKeyGNMCYEDBHABPPS-UHFFFAOYSA-N
XLogP2.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-4-methylpentan-1-one
CID 96537722
2,2-Difluoro-4-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 57700447
1-(3-Fluoro-3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 126790668
1-[(3R)-3-fluoro-3-methylpiperidin-1-yl]-2-methylsulfanylethanone
CID 129348586
1-[(3S)-3-fluoro-3-methylpiperidin-1-yl]-2-methylsulfanylethanone
CID 129348587
4-(Cyclobutylcarbonyl)thiomorpholine
CID 15132484
3,3-Dimethyl-1-(thiomorpholin-4-yl)butan-1-one
CID 20590490
3-Methyl-1-(1-methylthiomorpholin-1-ium-4-yl)butan-1-one
CID 21345370
3-Methyl-1-thiomorpholin-4-ylbutan-1-one
CID 21345372
3-Methyl-1-(1-methylidene-1,4-thiazinan-4-yl)butan-1-one
CID 22980207
2-Tert-butylsulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 25611050
6-Ethylsulfanyl-1,4-dimethylpiperidin-2-one
CID 53759774

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one?
The IUPAC name of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one (CID 21060378) is 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one is CC(C)(C)CCC(=O)N1CCSCC1.
What is the InChIKey of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one?
The InChIKey is GNMCYEDBHABPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-11(2,3)5-4-10(13)12-6-8-14-9-7-12/h4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one?
4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one has a molecular weight of 215.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-thiomorpholin-4-ylpentan-1-one is sourced from PubChem (CID 21060378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).