(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone

C15H26N2O2S — CID 114946120

IUPAC(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C15H26N2O2S/c1-10-9-20-8-6-17(10)13(18)15(16)11-5-4-7-19-12(11)14(15,2)3/h10-12H,4-9,16H2,1-3H3
InChIKeyWGQOINWOSARHJE-UHFFFAOYSA-N
MW298.45 g/mol
LogP1.48
Rot. Bonds1

About (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone

(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone (PubChem CID 114946120) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone
PubChem CID114946120
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone
SMILESCC1CSCCN1C(=O)C1(N)C2CCCOC2C1(C)C
InChIInChI=1S/C15H26N2O2S/c1-10-9-20-8-6-17(10)13(18)15(16)11-5-4-7-19-12(11)14(15,2)3/h10-12H,4-9,16H2,1-3H3
InChIKeyWGQOINWOSARHJE-UHFFFAOYSA-N
XLogP1.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone with MolForge

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Related Compounds

(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 114945016
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-pyrrolidin-1-ylmethanone
CID 114945001
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106774567
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(2-ethylpiperidin-1-yl)methanone
CID 114945287
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 114945389
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114946555
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 114946596
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(azocan-1-yl)methanone
CID 114945234
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780665
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 114946793
7-amino-8,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 114945326
(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 114945996

Frequently Asked Questions

What is the IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone?
The IUPAC name of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone (CID 114946120) is (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone?
The canonical SMILES for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone is CC1CSCCN1C(=O)C1(N)C2CCCOC2C1(C)C.
What is the InChIKey of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone?
The InChIKey is WGQOINWOSARHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-10-9-20-8-6-17(10)13(18)15(16)11-5-4-7-19-12(11)14(15,2)3/h10-12H,4-9,16H2,1-3H3.
What are the key properties of (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone?
(7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone has a molecular weight of 298.45 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-(3-methylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 114946120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).