2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

C18H23N3OS — CID 118745590

IUPAC2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(N2CCC3(COCCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C18H23N3OS/c1-2-7-19-17(5-1)21-8-6-18(14-21)13-20(9-10-22-15-18)12-16-4-3-11-23-16/h1-5,7,11H,6,8-10,12-15H2
InChIKeyFTCDNDGOQIJNQI-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.87
Rot. Bonds3

About 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane

2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118745590) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118745590
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESc1ccc(N2CCC3(COCCN(Cc4cccs4)C3)C2)nc1
InChIInChI=1S/C18H23N3OS/c1-2-7-19-17(5-1)21-8-6-18(14-21)13-20(9-10-22-15-18)12-16-4-3-11-23-16/h1-5,7,11H,6,8-10,12-15H2
InChIKeyFTCDNDGOQIJNQI-UHFFFAOYSA-N
XLogP2.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pyridinamine, N-(3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl)-N-(2-thienylmethyl)-
CID 3062730
11-Pyridin-2-yl-2-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118739514
2-(Pyridin-3-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118740917
7-Pyridin-2-yl-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 118742470
7-Pyridin-2-yl-2-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 118744013
2-Pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118744203
10-Cyclopropylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118744270
10-Propylsulfonyl-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118744274
10-[(2-Methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118746212
11-Pyrimidin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 118746651
2-methyl-4-[[4-(oxolan-3-yl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 118747009
2-methyl-4-[[4-(oxolan-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 118747013

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118745590) is 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is c1ccc(N2CCC3(COCCN(Cc4cccs4)C3)C2)nc1.
What is the InChIKey of 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is FTCDNDGOQIJNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-2-7-19-17(5-1)21-8-6-18(14-21)13-20(9-10-22-15-18)12-16-4-3-11-23-16/h1-5,7,11H,6,8-10,12-15H2.
What are the key properties of 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane?
2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 329.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118745590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).