3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one

C17H26N2OS — CID 83245812

IUPAC3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C(C)C)N1C(=O)C2(CCCC2)NC1c1ccsc1
InChIInChI=1S/C17H26N2OS/c1-4-14(12(2)3)19-15(13-7-10-21-11-13)18-17(16(19)20)8-5-6-9-17/h7,10-12,14-15,18H,4-6,8-9H2,1-3H3
InChIKeySLOMSIARIXVOLF-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.93
Rot. Bonds4

About 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one

3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83245812) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83245812
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC Name3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C(C)C)N1C(=O)C2(CCCC2)NC1c1ccsc1
InChIInChI=1S/C17H26N2OS/c1-4-14(12(2)3)19-15(13-7-10-21-11-13)18-17(16(19)20)8-5-6-9-17/h7,10-12,14-15,18H,4-6,8-9H2,1-3H3
InChIKeySLOMSIARIXVOLF-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
6-(3-methylpentan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83247618
6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
3-butan-2-yl-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83239838
6-(2-ethylcyclohexyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83253794
3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246182
6-octyl-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270030
5-cyclopentyl-6-(2-methylpentan-3-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83246084
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398
6-(1,4-dioxan-2-ylmethyl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83246552
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-thiophen-3-ylimidazolidin-4-one
CID 83259458

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 83245812) is 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one is CCC(C(C)C)N1C(=O)C2(CCCC2)NC1c1ccsc1.
What is the InChIKey of 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is SLOMSIARIXVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-4-14(12(2)3)19-15(13-7-10-21-11-13)18-17(16(19)20)8-5-6-9-17/h7,10-12,14-15,18H,4-6,8-9H2,1-3H3.
What are the key properties of 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 306.47 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83245812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).