N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide

C17H27N3O3S — CID 125218439

IUPACN,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
SMILESCN(C)C(=O)CN1CCO[C@@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C17H27N3O3S/c1-19(2)16(21)10-20-7-8-23-17(13-20)5-3-4-14(17)11-22-12-15-18-6-9-24-15/h6,9,14H,3-5,7-8,10-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyTVOGAHWGDBJLTE-YOEHRIQHSA-N
MW353.49 g/mol
LogP1.62
Rot. Bonds6

About N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide

N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (PubChem CID 125218439) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
PubChem CID125218439
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
SMILESCN(C)C(=O)CN1CCO[C@@]2(CCC[C@H]2COCc2nccs2)C1
InChIInChI=1S/C17H27N3O3S/c1-19(2)16(21)10-20-7-8-23-17(13-20)5-3-4-14(17)11-22-12-15-18-6-9-24-15/h6,9,14H,3-5,7-8,10-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyTVOGAHWGDBJLTE-YOEHRIQHSA-N
XLogP1.62
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide (CID 125218439) is N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is CN(C)C(=O)CN1CCO[C@@]2(CCC[C@H]2COCc2nccs2)C1.
What is the InChIKey of N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
The InChIKey is TVOGAHWGDBJLTE-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(2)16(21)10-20-7-8-23-17(13-20)5-3-4-14(17)11-22-12-15-18-6-9-24-15/h6,9,14H,3-5,7-8,10-13H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide?
N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4S,5R)-4-(1,3-thiazol-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decan-9-yl]acetamide is sourced from PubChem (CID 125218439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).