[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

C14H20N2O2S — CID 133120064

IUPAC[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2[C@@H]3CCNC[C@H]2CC3)s1
InChIInChI=1S/C14H20N2O2S/c1-18-9-12-4-5-13(19-12)14(17)16-10-2-3-11(16)8-15-7-6-10/h4-5,10-11,15H,2-3,6-9H2,1H3/t10-,11+/m0/s1
InChIKeyLWPIKSKGLGSEPT-WDEREUQCSA-N
MW280.39 g/mol
LogP1.86
Rot. Bonds3

About [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone

[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (PubChem CID 133120064) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
PubChem CID133120064
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2[C@@H]3CCNC[C@H]2CC3)s1
InChIInChI=1S/C14H20N2O2S/c1-18-9-12-4-5-13(19-12)14(17)16-10-2-3-11(16)8-15-7-6-10/h4-5,10-11,15H,2-3,6-9H2,1H3/t10-,11+/m0/s1
InChIKeyLWPIKSKGLGSEPT-WDEREUQCSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone 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

3,9-diazabicyclo[4.2.1]nonan-9-yl-(3-methylfuran-2-yl)methanone
CID 75595619
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 75595253
5-(methoxymethyl)thiophene-2-carbonyl chloride
CID 21266024
1-[6-hydroxy-4-[5-(methoxymethyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 74241719
1-(3,9-diazabicyclo[4.2.1]nonan-9-yl)ethanone
CID 59172058
(3-chloro-6-methoxy-2-pyridinyl)-(3,9-diazabicyclo[4.2.1]nonan-9-yl)methanone;hydrochloride
CID 156759443
[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 133129645
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-phenylmethoxyethanone
CID 50976391
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(2-methyl-5-propan-2-ylfuran-3-yl)methanone
CID 133122860
1-[4-[4-[(1R,6S)-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]-2-methoxyphenoxy]piperidin-1-yl]ethanone
CID 133127375
[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[3-(5-methylfuran-2-yl)phenyl]methanone;hydrochloride
CID 154900493
tert-butyl (1R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
CID 118214329

Frequently Asked Questions

What is the IUPAC name of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The IUPAC name of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone (CID 133120064) is [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The canonical SMILES for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is COCc1ccc(C(=O)N2[C@@H]3CCNC[C@H]2CC3)s1.
What is the InChIKey of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
The InChIKey is LWPIKSKGLGSEPT-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-9-12-4-5-13(19-12)14(17)16-10-2-3-11(16)8-15-7-6-10/h4-5,10-11,15H,2-3,6-9H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone?
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone has a molecular weight of 280.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 133120064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).