7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane

C18H23N3S — CID 118742470

IUPAC7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESc1ccc(N2CCCC3(CCN(Cc4ccsc4)C3)C2)nc1
InChIInChI=1S/C18H23N3S/c1-2-8-19-17(4-1)21-9-3-6-18(15-21)7-10-20(14-18)12-16-5-11-22-13-16/h1-2,4-5,8,11,13H,3,6-7,9-10,12,14-15H2
InChIKeyYSMUSOLMXQKXMV-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.64
Rot. Bonds3

About 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane

7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane (PubChem CID 118742470) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane
PubChem CID118742470
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane
SMILESc1ccc(N2CCCC3(CCN(Cc4ccsc4)C3)C2)nc1
InChIInChI=1S/C18H23N3S/c1-2-8-19-17(4-1)21-9-3-6-18(15-21)7-10-20(14-18)12-16-5-11-22-13-16/h1-2,4-5,8,11,13H,3,6-7,9-10,12,14-15H2
InChIKeyYSMUSOLMXQKXMV-UHFFFAOYSA-N
XLogP3.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane (CID 118742470) is 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane is c1ccc(N2CCCC3(CCN(Cc4ccsc4)C3)C2)nc1.
What is the InChIKey of 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
The InChIKey is YSMUSOLMXQKXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-2-8-19-17(4-1)21-9-3-6-18(15-21)7-10-20(14-18)12-16-5-11-22-13-16/h1-2,4-5,8,11,13H,3,6-7,9-10,12,14-15H2.
What are the key properties of 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane?
7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane has a molecular weight of 313.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 118742470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).