5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid

C14H18N2O3S — CID 79169988

IUPAC5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid
SMILESCN1C2CCC1CN(C(=O)c1ccc(C(=O)O)s1)CC2
InChIInChI=1S/C14H18N2O3S/c1-15-9-2-3-10(15)8-16(7-6-9)13(17)11-4-5-12(20-11)14(18)19/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyWNIVGPCZSFENTD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.75
Rot. Bonds2

About 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid (PubChem CID 79169988) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid
PubChem CID79169988
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid
SMILESCN1C2CCC1CN(C(=O)c1ccc(C(=O)O)s1)CC2
InChIInChI=1S/C14H18N2O3S/c1-15-9-2-3-10(15)8-16(7-6-9)13(17)11-4-5-12(20-11)14(18)19/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19)
InChIKeyWNIVGPCZSFENTD-UHFFFAOYSA-N
XLogP1.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-aminoprop-1-ynyl)thiophen-2-yl]-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79165844
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
5-[3-(diethylamino)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 63175273
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
1-[5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)thiophen-2-yl]ethanone;hydrochloride
CID 120997297
[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 133138416
5-(6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)thiophene-2-carboxylic acid
CID 119186671
5-(2-methylthiomorpholine-4-carbonyl)thiophene-2-carboxylic acid
CID 115730350
5-(4-ethyl-3-methylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 63614567
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)pyridine-2-carboxylic acid
CID 79117582
5-[(1S,5R)-6-(2-methoxyethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]thiophene-2-carboxylic acid
CID 74245789
5-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 60978074

Frequently Asked Questions

What is the IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid (CID 79169988) is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid is CN1C2CCC1CN(C(=O)c1ccc(C(=O)O)s1)CC2.
What is the InChIKey of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid?
The InChIKey is WNIVGPCZSFENTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-15-9-2-3-10(15)8-16(7-6-9)13(17)11-4-5-12(20-11)14(18)19/h4-5,9-10H,2-3,6-8H2,1H3,(H,18,19).
What are the key properties of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid?
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 79169988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).