8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

C14H26N2O2S — CID 114947636

IUPAC8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C2OCCCC2C1(N)CN1CCS(=O)CC1
InChIInChI=1S/C14H26N2O2S/c1-13(2)12-11(4-3-7-18-12)14(13,15)10-16-5-8-19(17)9-6-16/h11-12H,3-10,15H2,1-2H3
InChIKeyXXXYXCCFFILWSO-UHFFFAOYSA-N
MW286.44 g/mol
LogP0.58
Rot. Bonds2

About 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 114947636) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID114947636
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC Name8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C2OCCCC2C1(N)CN1CCS(=O)CC1
InChIInChI=1S/C14H26N2O2S/c1-13(2)12-11(4-3-7-18-12)14(13,15)10-16-5-8-19(17)9-6-16/h11-12H,3-10,15H2,1-2H3
InChIKeyXXXYXCCFFILWSO-UHFFFAOYSA-N
XLogP0.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine (CID 114947636) is 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C2OCCCC2C1(N)CN1CCS(=O)CC1.
What is the InChIKey of 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is XXXYXCCFFILWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-13(2)12-11(4-3-7-18-12)14(13,15)10-16-5-8-19(17)9-6-16/h11-12H,3-10,15H2,1-2H3.
What are the key properties of 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 286.44 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 114947636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).