(5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

C18H26N2O2S — CID 97374151

IUPAC(5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@]3(CCN(CC4CCOCC4)C3)CC2=O)s1
InChIInChI=1S/C18H26N2O2S/c1-14-2-3-17(23-14)20-13-18(10-16(20)21)6-7-19(12-18)11-15-4-8-22-9-5-15/h2-3,15H,4-13H2,1H3/t18-/m1/s1
InChIKeyIDWGLQFNYAIOIG-GOSISDBHSA-N
MW334.49 g/mol
LogP2.91
Rot. Bonds3

About (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one

(5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97374151) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97374151
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1ccc(N2C[C@]3(CCN(CC4CCOCC4)C3)CC2=O)s1
InChIInChI=1S/C18H26N2O2S/c1-14-2-3-17(23-14)20-13-18(10-16(20)21)6-7-19(12-18)11-15-4-8-22-9-5-15/h2-3,15H,4-13H2,1H3/t18-/m1/s1
InChIKeyIDWGLQFNYAIOIG-GOSISDBHSA-N
XLogP2.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97374151) is (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1ccc(N2C[C@]3(CCN(CC4CCOCC4)C3)CC2=O)s1.
What is the InChIKey of (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is IDWGLQFNYAIOIG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-14-2-3-17(23-14)20-13-18(10-16(20)21)6-7-19(12-18)11-15-4-8-22-9-5-15/h2-3,15H,4-13H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 334.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(5-methylthiophen-2-yl)-7-(oxan-4-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97374151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).