N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

C14H21N3O2S2 — CID 124801312

IUPACN,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3O2S2/c1-16(2)13(18)7-19-11-5-14(21-8-11)9-17(10-14)6-12-15-3-4-20-12/h3-4,11H,5-10H2,1-2H3/t11-/m0/s1
InChIKeyBOALMLXOJULREI-NSHDSACASA-N
MW327.48 g/mol
LogP1.31
Rot. Bonds5

About N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (PubChem CID 124801312) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
PubChem CID124801312
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC NameN,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3O2S2/c1-16(2)13(18)7-19-11-5-14(21-8-11)9-17(10-14)6-12-15-3-4-20-12/h3-4,11H,5-10H2,1-2H3/t11-/m0/s1
InChIKeyBOALMLXOJULREI-NSHDSACASA-N
XLogP1.31
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131646725
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
(7R)-7-(pyridin-4-ylmethoxy)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124911531
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-(trifluoromethylsulfonyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
CID 131692481
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
7-pyridin-3-yloxy-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155824411
7-ethoxy-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155831298
(7R)-7-(pyridin-2-ylmethoxy)-2-(pyridin-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124798745
7-ethoxy-2-(pyridin-3-ylmethyl)-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 171694485
2-[[(7R)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-1-pyrrolidin-1-ylethanone
CID 124809543

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (CID 124801312) is N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is CN(C)C(=O)CO[C@@H]1CSC2(C1)CN(Cc1nccs1)C2.
What is the InChIKey of N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The InChIKey is BOALMLXOJULREI-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-16(2)13(18)7-19-11-5-14(21-8-11)9-17(10-14)6-12-15-3-4-20-12/h3-4,11H,5-10H2,1-2H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide has a molecular weight of 327.48 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(7S)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is sourced from PubChem (CID 124801312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).