N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

C16H24N2O2S2 — CID 131646725

IUPACN,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCc1ccsc1CN1CC2(CC(OCC(=O)N(C)C)CS2)C1
InChIInChI=1S/C16H24N2O2S2/c1-12-4-5-21-14(12)7-18-10-16(11-18)6-13(9-22-16)20-8-15(19)17(2)3/h4-5,13H,6-11H2,1-3H3
InChIKeyLSPPGQCNFHAHNS-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.22
Rot. Bonds5

About N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide

N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (PubChem CID 131646725) has the molecular formula C16H24N2O2S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
PubChem CID131646725
Molecular FormulaC16H24N2O2S2
Molecular Weight340.51 g/mol
Exact Mass340.13
IUPAC NameN,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide
SMILESCc1ccsc1CN1CC2(CC(OCC(=O)N(C)C)CS2)C1
InChIInChI=1S/C16H24N2O2S2/c1-12-4-5-21-14(12)7-18-10-16(11-18)6-13(9-22-16)20-8-15(19)17(2)3/h4-5,13H,6-11H2,1-3H3
InChIKeyLSPPGQCNFHAHNS-UHFFFAOYSA-N
XLogP2.22
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(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
(7S)-2-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane
CID 124912506
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
(8S)-8-ethoxy-2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonane
CID 124912592
2-(1,3-benzodioxol-5-ylmethyl)-7-ethoxy-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155843303
(7R)-7-(pyridin-4-ylmethoxy)-2-(1,3-thiazol-2-ylmethyl)-5-thia-2-azaspiro[3.4]octane
CID 124911531
2-[[(8R)-2-[(2,5-dimethylphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-8-yl]oxy]-N,N-dimethylacetamide
CID 124809200
2-[(2R,3aS,6aS)-5-[(3-methylthiophen-2-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N,N-dimethylacetamide
CID 97475926
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-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide (CID 131646725) is N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is Cc1ccsc1CN1CC2(CC(OCC(=O)N(C)C)CS2)C1.
What is the InChIKey of N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
The InChIKey is LSPPGQCNFHAHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S2/c1-12-4-5-21-14(12)7-18-10-16(11-18)6-13(9-22-16)20-8-15(19)17(2)3/h4-5,13H,6-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide?
N,N-dimethyl-2-[[2-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide has a molecular weight of 340.51 g/mol, XLogP of 2.22, 5 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-[(3-methylthiophen-2-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]acetamide is sourced from PubChem (CID 131646725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).