2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

C16H28N2OS — CID 66420475

IUPAC2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)CC2CSCCN2)C1
InChIInChI=1S/C16H28N2OS/c1-15(2)7-13-8-16(3,10-15)11-18(13)14(19)6-12-9-20-5-4-17-12/h12-13,17H,4-11H2,1-3H3
InChIKeyBSGVJFZTZZHQBH-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.51
Rot. Bonds2

About 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (PubChem CID 66420475) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.

Molecular Properties

Compound Name2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
PubChem CID66420475
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)CC2CSCCN2)C1
InChIInChI=1S/C16H28N2OS/c1-15(2)7-13-8-16(3,10-15)11-18(13)14(19)6-12-9-20-5-4-17-12/h12-13,17H,4-11H2,1-3H3
InChIKeyBSGVJFZTZZHQBH-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone with MolForge

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Related Compounds

1-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one
CID 98511634
1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl chloride
CID 54116057
3-methyl-4-(2-thiomorpholin-3-ylacetyl)piperazin-2-one
CID 66421309
(4R)-3-(2-thiomorpholin-3-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66421279
1-(2,2-dimethylmorpholin-4-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119937092
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-O-[2-oxo-2-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] 4-O-[2-oxo-2-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]ethyl] (E)-but-2-enedioate
CID 25389743
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
2-methyl-1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxylic acid
CID 66421314
2-ethyl-1-[4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42745459
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119936904

Frequently Asked Questions

What is the IUPAC name of 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The IUPAC name of 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (CID 66420475) is 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.
What is the SMILES notation for 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The canonical SMILES for 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is CC1(C)CC2CC(C)(CN2C(=O)CC2CSCCN2)C1.
What is the InChIKey of 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The InChIKey is BSGVJFZTZZHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-15(2)7-13-8-16(3,10-15)11-18(13)14(19)6-12-9-20-5-4-17-12/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone has a molecular weight of 296.48 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiomorpholin-3-yl-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is sourced from PubChem (CID 66420475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).