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

C16H25N3O3S — CID 97371184

IUPACN,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@H]1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C16H25N3O3S/c1-18(2)15(20)12-21-13-9-16(22-11-13)3-6-19(7-4-16)10-14-17-5-8-23-14/h5,8,13H,3-4,6-7,9-12H2,1-2H3/t13-/m1/s1
InChIKeyLXWKSFCTHLAHAT-CYBMUJFWSA-N
MW339.46 g/mol
LogP1.37
Rot. Bonds5

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

N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide (PubChem CID 97371184) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
PubChem CID97371184
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
SMILESCN(C)C(=O)CO[C@H]1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C16H25N3O3S/c1-18(2)15(20)12-21-13-9-16(22-11-13)3-6-19(7-4-16)10-14-17-5-8-23-14/h5,8,13H,3-4,6-7,9-12H2,1-2H3/t13-/m1/s1
InChIKeyLXWKSFCTHLAHAT-CYBMUJFWSA-N
XLogP1.37
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.37
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-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide (CID 97371184) is N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide is CN(C)C(=O)CO[C@H]1COC2(CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
The InChIKey is LXWKSFCTHLAHAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)15(20)12-21-13-9-16(22-11-13)3-6-19(7-4-16)10-14-17-5-8-23-14/h5,8,13H,3-4,6-7,9-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide?
N,N-dimethyl-2-[[(3R)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide has a molecular weight of 339.46 g/mol, XLogP of 1.37, 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)-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide is sourced from PubChem (CID 97371184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).