3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one

C17H22N2OS — CID 83244929

IUPAC3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCSc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C17H22N2OS/c1-21-14-8-4-12(5-9-14)15-18-17(10-2-3-11-17)16(20)19(15)13-6-7-13/h4-5,8-9,13,15,18H,2-3,6-7,10-11H2,1H3
InChIKeyGOSMWYKGIYFALQ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.31
Rot. Bonds3

About 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one

3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83244929) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83244929
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCSc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)cc1
InChIInChI=1S/C17H22N2OS/c1-21-14-8-4-12(5-9-14)15-18-17(10-2-3-11-17)16(20)19(15)13-6-7-13/h4-5,8-9,13,15,18H,2-3,6-7,10-11H2,1H3
InChIKeyGOSMWYKGIYFALQ-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclobutyl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250307
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83243162
3-cyclobutyl-2-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83249263
3-cyclobutyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83254980
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
6-cyclopropyl-5-(4-prop-2-enoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244933
6-cyclopropyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245154
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239406
6-cyclobutyl-5-(4-methoxy-3-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83250316
5-(4-methoxyphenyl)-6-(oxolan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267252

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83244929) is 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one is CSc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is GOSMWYKGIYFALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-21-14-8-4-12(5-9-14)15-18-17(10-2-3-11-17)16(20)19(15)13-6-7-13/h4-5,8-9,13,15,18H,2-3,6-7,10-11H2,1H3.
What are the key properties of 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 302.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83244929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).