2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one

C17H27NO2S — CID 79912577

IUPAC2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one
SMILESCC(C)N(Cc1cccs1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2S/c1-12(2)18(10-13-8-7-9-21-13)11-14-15(19)17(5,6)20-16(14,3)4/h7-9,12,14H,10-11H2,1-6H3
InChIKeyFYUXOEPSMLCFST-UHFFFAOYSA-N
MW309.47 g/mol
LogP3.73
Rot. Bonds5

About 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one (PubChem CID 79912577) has the molecular formula C17H27NO2S and a molecular weight of 309.47 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one
PubChem CID79912577
Molecular FormulaC17H27NO2S
Molecular Weight309.47 g/mol
Exact Mass309.18
IUPAC Name2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one
SMILESCC(C)N(Cc1cccs1)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C17H27NO2S/c1-12(2)18(10-13-8-7-9-21-13)11-14-15(19)17(5,6)20-16(14,3)4/h7-9,12,14H,10-11H2,1-6H3
InChIKeyFYUXOEPSMLCFST-UHFFFAOYSA-N
XLogP3.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one with MolForge

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Related Compounds

2,2-dimethyl-3-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835236
2,2-dimethyl-5-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 79865626
(2S)-1-[propan-2-yl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932766
4-propan-2-yl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62703961
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
2,2,5,5-tetramethyl-4-[[methyl(2-methylbutyl)amino]methyl]oxolan-3-one
CID 79933120
N-(1-cyclopropylethyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62558541
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-N,2-dimethyl-1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62847316
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
1-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 81171454
N-methyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 55094707

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one (CID 79912577) is 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one is CC(C)N(Cc1cccs1)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one?
The InChIKey is FYUXOEPSMLCFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-12(2)18(10-13-8-7-9-21-13)11-14-15(19)17(5,6)20-16(14,3)4/h7-9,12,14H,10-11H2,1-6H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one has a molecular weight of 309.47 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 79912577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).