2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane

C14H21NOS — CID 65123509

IUPAC2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane
SMILESc1csc(C2CNCC3(CCCCCC3)O2)c1
InChIInChI=1S/C14H21NOS/c1-2-4-8-14(7-3-1)11-15-10-12(16-14)13-6-5-9-17-13/h5-6,9,12,15H,1-4,7-8,10-11H2
InChIKeyPQKYXEZMEWOZDJ-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.50
Rot. Bonds1

About 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane

2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane (PubChem CID 65123509) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane
PubChem CID65123509
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane
SMILESc1csc(C2CNCC3(CCCCCC3)O2)c1
InChIInChI=1S/C14H21NOS/c1-2-4-8-14(7-3-1)11-15-10-12(16-14)13-6-5-9-17-13/h5-6,9,12,15H,1-4,7-8,10-11H2
InChIKeyPQKYXEZMEWOZDJ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123315
2-(2-methoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103852
2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine
CID 19930546
2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123122
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103645
2-(4-propoxyphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 65103747
7-(4-fluoro-3-methylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65210932
2-cyclopropyl-6-thiophen-2-ylmorpholine
CID 63297454
7-(3-propoxyphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65211299
2-(2-bromophenyl)-9,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117829
2-(2-bromophenyl)-10-methyl-1-oxa-4-azaspiro[5.5]undecane
CID 65116449

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
The IUPAC name of 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane (CID 65123509) is 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane.
What is the SMILES notation for 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
The canonical SMILES for 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane is c1csc(C2CNCC3(CCCCCC3)O2)c1.
What is the InChIKey of 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
The InChIKey is PQKYXEZMEWOZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-4-8-14(7-3-1)11-15-10-12(16-14)13-6-5-9-17-13/h5-6,9,12,15H,1-4,7-8,10-11H2.
What are the key properties of 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane?
2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane has a molecular weight of 251.39 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane is sourced from PubChem (CID 65123509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).