N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

C11H17F3N2O4S2 — CID 131692481

IUPACN,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)COC1CSC2(C1)CN(S(=O)(=O)C(F)(F)F)C2
InChIInChI=1S/C11H17F3N2O4S2/c1-15(2)9(17)4-20-8-3-10(21-5-8)6-16(7-10)22(18,19)11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyJFCUKSBFTUZHEX-UHFFFAOYSA-N
MW362.40 g/mol
LogP0.50
Rot. Bonds4

About N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (PubChem CID 131692481) has the molecular formula C11H17F3N2O4S2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
PubChem CID131692481
Molecular FormulaC11H17F3N2O4S2
Molecular Weight362.40 g/mol
Exact Mass362.06
IUPAC NameN,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)COC1CSC2(C1)CN(S(=O)(=O)C(F)(F)F)C2
InChIInChI=1S/C11H17F3N2O4S2/c1-15(2)9(17)4-20-8-3-10(21-5-8)6-16(7-10)22(18,19)11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyJFCUKSBFTUZHEX-UHFFFAOYSA-N
XLogP0.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(1-fluorocyclobutanecarbonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
CID 131692442
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
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
2-[[(7R)-2-[6-(dimethylamino)pyrimidin-4-yl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
CID 124816568
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
CID 131662609
7-(cyclopropylmethoxy)-N,N-dimethyl-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131661234
N,N-dimethyl-7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octane-2-carboxamide
CID 131647599
2-cyclopropylsulfonyl-7-(pyridin-2-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155863186
2-(dimethylamino)-1-[7-(oxan-4-ylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155843518
N,N-dimethyl-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 155834661

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (CID 131692481) is N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is CN(C)C(=O)COC1CSC2(C1)CN(S(=O)(=O)C(F)(F)F)C2.
What is the InChIKey of N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The InChIKey is JFCUKSBFTUZHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4S2/c1-15(2)9(17)4-20-8-3-10(21-5-8)6-16(7-10)22(18,19)11(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide has a molecular weight of 362.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is sourced from PubChem (CID 131692481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).