2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide

C15H23FN2O3S — CID 131692442

IUPAC2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1CSC2(C1)CN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C15H23FN2O3S/c1-17(2)12(19)7-21-11-6-14(22-8-11)9-18(10-14)13(20)15(16)4-3-5-15/h11H,3-10H2,1-2H3
InChIKeyUVSXRBWYUXVLRE-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.07
Rot. Bonds4

About 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide

2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide (PubChem CID 131692442) has the molecular formula C15H23FN2O3S and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
PubChem CID131692442
Molecular FormulaC15H23FN2O3S
Molecular Weight330.43 g/mol
Exact Mass330.14
IUPAC Name2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COC1CSC2(C1)CN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C15H23FN2O3S/c1-17(2)12(19)7-21-11-6-14(22-8-11)9-18(10-14)13(20)15(16)4-3-5-15/h11H,3-10H2,1-2H3
InChIKeyUVSXRBWYUXVLRE-UHFFFAOYSA-N
XLogP1.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131692481
N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 124801312
N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131646725
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
CID 124816568
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
CID 131662609
N,N-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131642126
2-[[2-(1,3-benzodioxol-5-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155860519
N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131647599
2-cyclohexyloxy-N,N-dimethylacetamide
CID 89427272
2-ethoxy-1-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone
CID 131692247
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyrimidin-2-ylmethanone
CID 131647950

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide (CID 131692442) is 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide is CN(C)C(=O)COC1CSC2(C1)CN(C(=O)C1(F)CCC1)C2.
What is the InChIKey of 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
The InChIKey is UVSXRBWYUXVLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3S/c1-17(2)12(19)7-21-11-6-14(22-8-11)9-18(10-14)13(20)15(16)4-3-5-15/h11H,3-10H2,1-2H3.
What are the key properties of 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide?
2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide has a molecular weight of 330.43 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide is sourced from PubChem (CID 131692442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).