8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane

C19H25N3S — CID 97369926

IUPAC8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)nc1
InChIInChI=1S/C19H25N3S/c1-2-9-20-17(4-1)14-21-10-6-19(7-11-21)8-12-22(16-19)15-18-5-3-13-23-18/h1-5,9,13H,6-8,10-12,14-16H2
InChIKeyGPNOWVLDOYGETE-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.63
Rot. Bonds4

About 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane

8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 97369926) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID97369926
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC Name8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESc1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)nc1
InChIInChI=1S/C19H25N3S/c1-2-9-20-17(4-1)14-21-10-6-19(7-11-21)8-12-22(16-19)15-18-5-3-13-23-18/h1-5,9,13H,6-8,10-12,14-16H2
InChIKeyGPNOWVLDOYGETE-UHFFFAOYSA-N
XLogP3.63
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 97369926) is 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane is c1ccc(CN2CCC3(CC2)CCN(Cc2cccs2)C3)nc1.
What is the InChIKey of 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is GPNOWVLDOYGETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-2-9-20-17(4-1)14-21-10-6-19(7-11-21)8-12-22(16-19)15-18-5-3-13-23-18/h1-5,9,13H,6-8,10-12,14-16H2.
What are the key properties of 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane?
8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 327.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-2-ylmethyl)-2-(thiophen-2-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97369926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).