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

C17H27N3O3S — CID 124803395

IUPACN,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2
InChIInChI=1S/C17H27N3O3S/c1-19(2)16(21)12-22-11-14-4-3-5-17(14)13-20(7-8-23-17)10-15-18-6-9-24-15/h6,9,14H,3-5,7-8,10-13H2,1-2H3/t14-,17+/m0/s1
InChIKeyFVKBAYAIFKEMBE-WMLDXEAASA-N
MW353.49 g/mol
LogP1.62
Rot. Bonds6

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

N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide (PubChem CID 124803395) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide
PubChem CID124803395
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2
InChIInChI=1S/C17H27N3O3S/c1-19(2)16(21)12-22-11-14-4-3-5-17(14)13-20(7-8-23-17)10-15-18-6-9-24-15/h6,9,14H,3-5,7-8,10-13H2,1-2H3/t14-,17+/m0/s1
InChIKeyFVKBAYAIFKEMBE-WMLDXEAASA-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,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide (CID 124803395) is N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide is CN(C)C(=O)COC[C@@H]1CCC[C@@]12CN(Cc1nccs1)CCO2.
What is the InChIKey of N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide?
The InChIKey is FVKBAYAIFKEMBE-WMLDXEAASA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(2)16(21)12-22-11-14-4-3-5-17(14)13-20(7-8-23-17)10-15-18-6-9-24-15/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,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(4S,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]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,5S)-9-(1,3-thiazol-2-ylmethyl)-6-oxa-9-azaspiro[4.5]decan-4-yl]methoxy]acetamide is sourced from PubChem (CID 124803395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).