5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane

C18H28N2O2S — CID 118744437

IUPAC5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CCOCC3COCC3CC3)CC2)n1
InChIInChI=1S/C18H28N2O2S/c1-2-15(1)12-22-14-16-13-21-9-5-18(16)3-7-20(8-4-18)11-17-19-6-10-23-17/h6,10,15-16H,1-5,7-9,11-14H2
InChIKeyLVGLUAYYXYYMFU-UHFFFAOYSA-N
MW336.50 g/mol
LogP3.19
Rot. Bonds6

About 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane

5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane (PubChem CID 118744437) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
PubChem CID118744437
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
SMILESc1csc(CN2CCC3(CCOCC3COCC3CC3)CC2)n1
InChIInChI=1S/C18H28N2O2S/c1-2-15(1)12-22-14-16-13-21-9-5-18(16)3-7-20(8-4-18)11-17-19-6-10-23-17/h6,10,15-16H,1-5,7-9,11-14H2
InChIKeyLVGLUAYYXYYMFU-UHFFFAOYSA-N
XLogP3.19
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane with MolForge

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Related Compounds

2-[[2-(Oxan-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97370018
5-(Methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 118744431
5-(Methoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744430
5-(Cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane;2,2,2-trifluoroacetic acid
CID 118744436
2-(1,3-Thiazol-2-ylmethyl)-9-oxa-2-azaspiro[5.5]undecane
CID 74232931
N-methyl-1-(oxan-3-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75384086
N-methyl-1-[(3S)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97235089
N-methyl-1-[(3R)-oxan-3-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 97235090
(4aS,8aR)-4a-(methoxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97362984
(4aR,8aR)-4a-(methoxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97362985
(4aS,8aS)-4a-(methoxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97362986
(4aR,8aS)-4a-(methoxymethyl)-6-(1,3-thiazol-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97362987

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The IUPAC name of 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane (CID 118744437) is 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane is c1csc(CN2CCC3(CCOCC3COCC3CC3)CC2)n1.
What is the InChIKey of 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
The InChIKey is LVGLUAYYXYYMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-2-15(1)12-22-14-16-13-21-9-5-18(16)3-7-20(8-4-18)11-17-19-6-10-23-17/h6,10,15-16H,1-5,7-9,11-14H2.
What are the key properties of 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane?
5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane has a molecular weight of 336.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethyl)-9-(1,3-thiazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 118744437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).