3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one

C16H23N3OS — CID 83264573

IUPAC3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCN1C2CCCC1CC(N1C(=O)CNC1c1cccs1)C2
InChIInChI=1S/C16H23N3OS/c1-18-11-4-2-5-12(18)9-13(8-11)19-15(20)10-17-16(19)14-6-3-7-21-14/h3,6-7,11-13,16-17H,2,4-5,8-10H2,1H3
InChIKeyRMMRWJFHRSRQBQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.19
Rot. Bonds2

About 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one

3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one (PubChem CID 83264573) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
PubChem CID83264573
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
SMILESCN1C2CCCC1CC(N1C(=O)CNC1c1cccs1)C2
InChIInChI=1S/C16H23N3OS/c1-18-11-4-2-5-12(18)9-13(8-11)19-15(20)10-17-16(19)14-6-3-7-21-14/h3,6-7,11-13,16-17H,2,4-5,8-10H2,1H3
InChIKeyRMMRWJFHRSRQBQ-UHFFFAOYSA-N
XLogP2.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one with MolForge

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Related Compounds

3-(3-ethylcyclohexyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258963
3-(1,1-dioxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83244118
3-(1-oxothian-4-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 113480754
3-(2-methylcycloheptyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83258933
3-cyclobutyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83254899
3-(cyclobutylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83243977
3-(3-methylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83251011
2-thiophen-2-yl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)imidazolidin-4-one
CID 83267441
3-cyclopentyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243272
3-butan-2-yl-2-thiophen-2-ylimidazolidin-4-one
CID 83239756
3-(3,3-dimethylbutan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 113458147
3-(2-cyclohexylethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83256115

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The IUPAC name of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one (CID 83264573) is 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one is CN1C2CCCC1CC(N1C(=O)CNC1c1cccs1)C2.
What is the InChIKey of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
The InChIKey is RMMRWJFHRSRQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-18-11-4-2-5-12(18)9-13(8-11)19-15(20)10-17-16(19)14-6-3-7-21-14/h3,6-7,11-13,16-17H,2,4-5,8-10H2,1H3.
What are the key properties of 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one?
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one has a molecular weight of 305.45 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-thiophen-2-ylimidazolidin-4-one is sourced from PubChem (CID 83264573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).