1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

C14H19ClN2OS — CID 79175254

IUPAC1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(CC(=O)c1ccc(Cl)s1)CC2
InChIInChI=1S/C14H19ClN2OS/c1-16-10-2-3-11(16)8-17(7-6-10)9-12(18)13-4-5-14(15)19-13/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyZXNZNKCHEIMVTO-UHFFFAOYSA-N
MW298.84 g/mol
LogP2.75
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone

1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (PubChem CID 79175254) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
PubChem CID79175254
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
SMILESCN1C2CCC1CN(CC(=O)c1ccc(Cl)s1)CC2
InChIInChI=1S/C14H19ClN2OS/c1-16-10-2-3-11(16)8-17(7-6-10)9-12(18)13-4-5-14(15)19-13/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyZXNZNKCHEIMVTO-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 62205766
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62037332
1-(5-chlorothiophen-2-yl)-2-(4-cyclopentylpiperazin-1-yl)ethanone
CID 62369289
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 43797238
1-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796615
1-(5-chlorothiophen-2-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 43228349
1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79166787
1-(4-chlorophenyl)-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 79164094
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylimidazolidin-2-one
CID 62491856
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123229
1-(5-ethylthiophen-2-yl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 113418108
1-(5-chlorothiophen-2-yl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 4014587

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone (CID 79175254) is 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is CN1C2CCC1CN(CC(=O)c1ccc(Cl)s1)CC2.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
The InChIKey is ZXNZNKCHEIMVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-16-10-2-3-11(16)8-17(7-6-10)9-12(18)13-4-5-14(15)19-13/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone?
1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone has a molecular weight of 298.84 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone is sourced from PubChem (CID 79175254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).