2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane

C13H20N2S — CID 82038614

IUPAC2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
SMILESc1csc(CCN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C13H20N2S/c1-2-12(16-9-1)3-7-15-8-5-13(11-15)4-6-14-10-13/h1-2,9,14H,3-8,10-11H2
InChIKeyFBKGKNRSFXXFJM-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.98
Rot. Bonds3

About 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane

2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane (PubChem CID 82038614) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
PubChem CID82038614
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane
SMILESc1csc(CCN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C13H20N2S/c1-2-12(16-9-1)3-7-15-8-5-13(11-15)4-6-14-10-13/h1-2,9,14H,3-8,10-11H2
InChIKeyFBKGKNRSFXXFJM-UHFFFAOYSA-N
XLogP1.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane (CID 82038614) is 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane is c1csc(CCN2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is FBKGKNRSFXXFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-2-12(16-9-1)3-7-15-8-5-13(11-15)4-6-14-10-13/h1-2,9,14H,3-8,10-11H2.
What are the key properties of 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane?
2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 236.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylethyl)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 82038614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).