3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one

C15H20N2OS — CID 83243162

IUPAC3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)s1
InChIInChI=1S/C15H20N2OS/c1-10-4-7-12(19-10)13-16-15(8-2-3-9-15)14(18)17(13)11-5-6-11/h4,7,11,13,16H,2-3,5-6,8-9H2,1H3
InChIKeySZAUZWQQZWIZSA-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.96
Rot. Bonds2

About 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one

3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83243162) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83243162
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)s1
InChIInChI=1S/C15H20N2OS/c1-10-4-7-12(19-10)13-16-15(8-2-3-9-15)14(18)17(13)11-5-6-11/h4,7,11,13,16H,2-3,5-6,8-9H2,1H3
InChIKeySZAUZWQQZWIZSA-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243192
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
3-cyclopropyl-2-(4-methylsulfanylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244929
3-cyclobutyl-2-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83249263
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
6-(2,2-dimethylbutyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 103466789
2-methyl-3-(4-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239406
3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272
3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83254899
6-(2-methylsulfanylethyl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257199
3-cycloheptyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243481
5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267284

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83243162) is 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is Cc1ccc(C2NC3(CCCC3)C(=O)N2C2CC2)s1.
What is the InChIKey of 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is SZAUZWQQZWIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-4-7-12(19-10)13-16-15(8-2-3-9-15)14(18)17(13)11-5-6-11/h4,7,11,13,16H,2-3,5-6,8-9H2,1H3.
What are the key properties of 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one?
3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 276.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(5-methylthiophen-2-yl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83243162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).