N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide

C17H27N3O3S — CID 97475107

IUPACN,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCc1ncsc1CN1CCC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1
InChIInChI=1S/C17H27N3O3S/c1-13-15(24-12-18-13)8-20-6-4-5-17(11-20)7-14(9-23-17)22-10-16(21)19(2)3/h12,14H,4-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyKNXFYSVCTNUKGG-PBHICJAKSA-N
MW353.49 g/mol
LogP1.68
Rot. Bonds5

About N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide

N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide (PubChem CID 97475107) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
PubChem CID97475107
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCc1ncsc1CN1CCC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1
InChIInChI=1S/C17H27N3O3S/c1-13-15(24-12-18-13)8-20-6-4-5-17(11-20)7-14(9-23-17)22-10-16(21)19(2)3/h12,14H,4-11H2,1-3H3/t14-,17+/m1/s1
InChIKeyKNXFYSVCTNUKGG-PBHICJAKSA-N
XLogP1.68
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[[8-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663924
(3S,5S)-3-ethoxy-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419682
(3R,5S)-3-ethoxy-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 127023477
N,N-dimethyl-2-[[9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131652566
N,N-dimethyl-2-[[(3S,5S)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97395337
N,N-dimethyl-2-[[(3R,5S)-9-(thiophen-2-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide;2,2,2-trifluoroacetic acid
CID 155828495
N,N-dimethyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371198
2-[[(3R,5R)-7-[(3-fluorophenyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97394293
N,N-dimethyl-2-[[8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 131663033
2-[[(3R,5S)-7-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]oxy]-N,N-dimethylacetamide
CID 97476911
2-[[(3R)-8-(6-methoxypyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]-N,N-dimethylacetamide
CID 97418823
2-[[(3R,5R)-9-[(6-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]-N-methylacetamide
CID 97395317

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide (CID 97475107) is N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide is Cc1ncsc1CN1CCC[C@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The InChIKey is KNXFYSVCTNUKGG-PBHICJAKSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13-15(24-12-18-13)8-20-6-4-5-17(11-20)7-14(9-23-17)22-10-16(21)19(2)3/h12,14H,4-11H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide?
N,N-dimethyl-2-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.68, 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-[[(3R,5S)-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-3-yl]oxy]acetamide is sourced from PubChem (CID 97475107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).