7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one

C16H20N2O3S — CID 131690115

IUPAC7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CCOC1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C16H20N2O3S/c19-14-7-16(11-18(14)13-2-6-22-9-13)3-4-17(10-16)15(20)12-1-5-21-8-12/h2,6,9,12H,1,3-5,7-8,10-11H2
InChIKeyBHDWHVFJNNHDGG-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.74
Rot. Bonds2

About 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one

7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131690115) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131690115
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CCOC1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C16H20N2O3S/c19-14-7-16(11-18(14)13-2-6-22-9-13)3-4-17(10-16)15(20)12-1-5-21-8-12/h2,6,9,12H,1,3-5,7-8,10-11H2
InChIKeyBHDWHVFJNNHDGG-UHFFFAOYSA-N
XLogP1.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690849
7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690379
7-(pyrrolidine-1-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 134077497
2-(3-oxo-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 131656083
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039
2-(cyclopropylmethyl)-8-(oxolane-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155872829
(5S,9S)-9-methyl-7-(oxane-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97471836
2-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
(3,3-dimethylpyrrolidin-1-yl)-[(3S)-oxolan-3-yl]methanone;ethane
CID 144942244
6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131648514
[(3R)-oxolan-3-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449429
(7-ethyl-2,7-diazaspiro[3.4]octan-2-yl)-(oxolan-3-yl)methanone
CID 134076233

Frequently Asked Questions

What is the IUPAC name of 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 131690115) is 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C(C1CCOC1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1.
What is the InChIKey of 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is BHDWHVFJNNHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-14-7-16(11-18(14)13-2-6-22-9-13)3-4-17(10-16)15(20)12-1-5-21-8-12/h2,6,9,12H,1,3-5,7-8,10-11H2.
What are the key properties of 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 320.41 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131690115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).