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

C16H18F2N2O2S — CID 131690379

IUPAC7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C16H18F2N2O2S/c17-16(18)5-11(6-16)14(22)19-3-2-15(9-19)7-13(21)20(10-15)12-1-4-23-8-12/h1,4,8,11H,2-3,5-7,9-10H2
InChIKeyMQMDAAYELGKSBF-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.75
Rot. Bonds2

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

7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131690379) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131690379
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(C1CC(F)(F)C1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1
InChIInChI=1S/C16H18F2N2O2S/c17-16(18)5-11(6-16)14(22)19-3-2-15(9-19)7-13(21)20(10-15)12-1-4-23-8-12/h1,4,8,11H,2-3,5-7,9-10H2
InChIKeyMQMDAAYELGKSBF-UHFFFAOYSA-N
XLogP2.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-hydroxycyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690849
7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690115
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-(cyclopentanecarbonyl)-6-methyl-9-thiophen-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131662037
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245
9-(pyrazine-2-carbonyl)-4-thiophen-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451112
1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
CID 131684089
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
3-oxo-2-phenyl-N-propan-2-yl-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 118741086
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131691070

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one (CID 131690379) is 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is O=C(C1CC(F)(F)C1)N1CCC2(CC(=O)N(c3ccsc3)C2)C1.
What is the InChIKey of 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is MQMDAAYELGKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c17-16(18)5-11(6-16)14(22)19-3-2-15(9-19)7-13(21)20(10-15)12-1-4-23-8-12/h1,4,8,11H,2-3,5-7,9-10H2.
What are the key properties of 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one?
7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 340.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-difluorocyclobutanecarbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131690379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).