11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C19H25N3OS — CID 118746918

IUPAC11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOCC3(CCCN(Cc4cccs4)C3)C2)c1
InChIInChI=1S/C19H25N3OS/c1-4-17(12-20-7-1)22-9-10-23-16-19(15-22)6-3-8-21(14-19)13-18-5-2-11-24-18/h1-2,4-5,7,11-12H,3,6,8-10,13-16H2
InChIKeyHMCBSXYMUVTODJ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.26
Rot. Bonds3

About 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane

11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118746918) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118746918
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1cncc(N2CCOCC3(CCCN(Cc4cccs4)C3)C2)c1
InChIInChI=1S/C19H25N3OS/c1-4-17(12-20-7-1)22-9-10-23-16-19(15-22)6-3-8-21(14-19)13-18-5-2-11-24-18/h1-2,4-5,7,11-12H,3,6,8-10,13-16H2
InChIKeyHMCBSXYMUVTODJ-UHFFFAOYSA-N
XLogP3.26
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118746918) is 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1cncc(N2CCOCC3(CCCN(Cc4cccs4)C3)C2)c1.
What is the InChIKey of 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is HMCBSXYMUVTODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-4-17(12-20-7-1)22-9-10-23-16-19(15-22)6-3-8-21(14-19)13-18-5-2-11-24-18/h1-2,4-5,7,11-12H,3,6,8-10,13-16H2.
What are the key properties of 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 343.50 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-3-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118746918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).