2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one

C15H29NO2S — CID 112664534

IUPAC2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one
SMILESCCC(CSC)N(C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO2S/c1-8-11(10-19-7)16(6)9-12-13(17)15(4,5)18-14(12,2)3/h11-12H,8-10H2,1-7H3
InChIKeyYKTACBPCPJSRLN-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.83
Rot. Bonds6

About 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one

2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one (PubChem CID 112664534) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one
PubChem CID112664534
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one
SMILESCCC(CSC)N(C)CC1C(=O)C(C)(C)OC1(C)C
InChIInChI=1S/C15H29NO2S/c1-8-11(10-19-7)16(6)9-12-13(17)15(4,5)18-14(12,2)3/h11-12H,8-10H2,1-7H3
InChIKeyYKTACBPCPJSRLN-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one (CID 112664534) is 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one is CCC(CSC)N(C)CC1C(=O)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one?
The InChIKey is YKTACBPCPJSRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-8-11(10-19-7)16(6)9-12-13(17)15(4,5)18-14(12,2)3/h11-12H,8-10H2,1-7H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one?
2,2,5,5-tetramethyl-4-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one has a molecular weight of 287.47 g/mol, XLogP of 2.83, 6 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-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]oxolan-3-one is sourced from PubChem (CID 112664534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).