N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide

C17H27N3O3S — CID 133144237

IUPACN,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCC1CC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C17H27N3O3S/c1-19(2)16(21)12-22-11-14-9-17(13-23-14)3-6-20(7-4-17)10-15-18-5-8-24-15/h5,8,14H,3-4,6-7,9-13H2,1-2H3
InChIKeyIGHYCNJNBINAFR-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.62
Rot. Bonds6

About N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide

N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide (PubChem CID 133144237) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
PubChem CID133144237
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
SMILESCN(C)C(=O)COCC1CC2(CCN(Cc3nccs3)CC2)CO1
InChIInChI=1S/C17H27N3O3S/c1-19(2)16(21)12-22-11-14-9-17(13-23-14)3-6-20(7-4-17)10-15-18-5-8-24-15/h5,8,14H,3-4,6-7,9-13H2,1-2H3
InChIKeyIGHYCNJNBINAFR-UHFFFAOYSA-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-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide (CID 133144237) is N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide is CN(C)C(=O)COCC1CC2(CCN(Cc3nccs3)CC2)CO1.
What is the InChIKey of N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The InChIKey is IGHYCNJNBINAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-19(2)16(21)12-22-11-14-9-17(13-23-14)3-6-20(7-4-17)10-15-18-5-8-24-15/h5,8,14H,3-4,6-7,9-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
N,N-dimethyl-2-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-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-[[8-(1,3-thiazol-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide is sourced from PubChem (CID 133144237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).