8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C16H26N2O2S — CID 118746262

IUPAC8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CN(Cc3cccs3)CCO2)C1
InChIInChI=1S/C16H26N2O2S/c1-14(2)18-6-7-19-13-16(12-18)11-17(5-8-20-16)10-15-4-3-9-21-15/h3-4,9,14H,5-8,10-13H2,1-2H3
InChIKeyQUIWMOYBSDKURI-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.06
Rot. Bonds3

About 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 118746262) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID118746262
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESCC(C)N1CCOCC2(CN(Cc3cccs3)CCO2)C1
InChIInChI=1S/C16H26N2O2S/c1-14(2)18-6-7-19-13-16(12-18)11-17(5-8-20-16)10-15-4-3-9-21-15/h3-4,9,14H,5-8,10-13H2,1-2H3
InChIKeyQUIWMOYBSDKURI-UHFFFAOYSA-N
XLogP2.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 118746262) is 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is CC(C)N1CCOCC2(CN(Cc3cccs3)CCO2)C1.
What is the InChIKey of 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is QUIWMOYBSDKURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-14(2)18-6-7-19-13-16(12-18)11-17(5-8-20-16)10-15-4-3-9-21-15/h3-4,9,14H,5-8,10-13H2,1-2H3.
What are the key properties of 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 310.46 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118746262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).