N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H25ClN2O2S — CID 119939516

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1(C)C(NC(=O)CC2CSCCN2)C2CCOC21.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-14(2)12(10-3-5-18-13(10)14)16-11(17)7-9-8-19-6-4-15-9;/h9-10,12-13,15H,3-8H2,1-2H3,(H,16,17);1H
InChIKeyXZUPQBOMIFDMCY-UHFFFAOYSA-N
MW320.89 g/mol
LogP1.43
Rot. Bonds3

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939516) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939516
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC1(C)C(NC(=O)CC2CSCCN2)C2CCOC21.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-14(2)12(10-3-5-18-13(10)14)16-11(17)7-9-8-19-6-4-15-9;/h9-10,12-13,15H,3-8H2,1-2H3,(H,16,17);1H
InChIKeyXZUPQBOMIFDMCY-UHFFFAOYSA-N
XLogP1.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride with MolForge

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Related Compounds

N-(2-methyloxolan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 82728569
N-cyclopropyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935015
3-amino-N-[(1S,5S,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 100643144
N-(2-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935112
N-prop-2-ynyl-2-thiomorpholin-3-ylacetamide
CID 66421607
N-(oxan-3-yl)-2-thiomorpholin-3-ylacetamide
CID 66420914
N-(1,4-dimethylcyclohexyl)-2-thiomorpholin-3-ylacetamide
CID 119938410
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-[(2-methylthiolan-2-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940106
N-(2-hydroxy-2-methylbutyl)-2-thiomorpholin-3-ylacetamide
CID 66421910
N-(4-methylcycloheptyl)-2-thiomorpholin-3-ylacetamide
CID 114100026

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939516) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC1(C)C(NC(=O)CC2CSCCN2)C2CCOC21.Cl.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is XZUPQBOMIFDMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-14(2)12(10-3-5-18-13(10)14)16-11(17)7-9-8-19-6-4-15-9;/h9-10,12-13,15H,3-8H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).