2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C18H28N2O2S — CID 118746850

IUPAC2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C18H28N2O2S/c1-2-17(23-11-1)12-19-7-10-22-15-18(13-19)5-6-20(14-18)16-3-8-21-9-4-16/h1-2,11,16H,3-10,12-15H2
InChIKeyMXAVJJUNPUHLGY-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.45
Rot. Bonds3

About 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746850) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746850
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC Name2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1csc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C18H28N2O2S/c1-2-17(23-11-1)12-19-7-10-22-15-18(13-19)5-6-20(14-18)16-3-8-21-9-4-16/h1-2,11,16H,3-10,12-15H2
InChIKeyMXAVJJUNPUHLGY-UHFFFAOYSA-N
XLogP2.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746850) is 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1csc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1.
What is the InChIKey of 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is MXAVJJUNPUHLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-2-17(23-11-1)12-19-7-10-22-15-18(13-19)5-6-20(14-18)16-3-8-21-9-4-16/h1-2,11,16H,3-10,12-15H2.
What are the key properties of 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 336.50 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).