6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H20N2OS — CID 83250307

IUPAC6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCSc1ccc(C2NC3(CC3)C(=O)N2C2CCC2)cc1
InChIInChI=1S/C16H20N2OS/c1-20-13-7-5-11(6-8-13)14-17-16(9-10-16)15(19)18(14)12-3-2-4-12/h5-8,12,14,17H,2-4,9-10H2,1H3
InChIKeyGVFWHOGLAFAXLV-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.92
Rot. Bonds3

About 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83250307) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83250307
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCSc1ccc(C2NC3(CC3)C(=O)N2C2CCC2)cc1
InChIInChI=1S/C16H20N2OS/c1-20-13-7-5-11(6-8-13)14-17-16(9-10-16)15(19)18(14)12-3-2-4-12/h5-8,12,14,17H,2-4,9-10H2,1H3
InChIKeyGVFWHOGLAFAXLV-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244929
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250316
6-butan-2-yl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239589
5-(4-fluorophenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267205
3-cyclobutyl-2-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83249263
6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244933
5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267252
6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245154
2-(4-methylsulfanylphenyl)-3-(oxan-3-yl)imidazolidin-4-one
CID 83264649
6-cycloheptyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243483

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83250307) is 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is CSc1ccc(C2NC3(CC3)C(=O)N2C2CCC2)cc1.
What is the InChIKey of 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is GVFWHOGLAFAXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-20-13-7-5-11(6-8-13)14-17-16(9-10-16)15(19)18(14)12-3-2-4-12/h5-8,12,14,17H,2-4,9-10H2,1H3.
What are the key properties of 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 288.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83250307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).