7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane

C12H17NOS — CID 65103542

IUPAC7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESc1csc(C2CNCC3(CCCC3)O2)c1
InChIInChI=1S/C12H17NOS/c1-2-6-12(5-1)9-13-8-10(14-12)11-4-3-7-15-11/h3-4,7,10,13H,1-2,5-6,8-9H2
InChIKeyHNHXUCYPSYNCMQ-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.72
Rot. Bonds1

About 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane

7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane (PubChem CID 65103542) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane
PubChem CID65103542
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane
SMILESc1csc(C2CNCC3(CCCC3)O2)c1
InChIInChI=1S/C12H17NOS/c1-2-6-12(5-1)9-13-8-10(14-12)11-4-3-7-15-11/h3-4,7,10,13H,1-2,5-6,8-9H2
InChIKeyHNHXUCYPSYNCMQ-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane (CID 65103542) is 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane is c1csc(C2CNCC3(CCCC3)O2)c1.
What is the InChIKey of 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is HNHXUCYPSYNCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-6-12(5-1)9-13-8-10(14-12)11-4-3-7-15-11/h3-4,7,10,13H,1-2,5-6,8-9H2.
What are the key properties of 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane?
7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 223.34 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-thiophen-2-yl-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 65103542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).