3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide

C17H28N4O4S — CID 133134927

IUPAC3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(CCC(=O)NCc1ccco1)C2
InChIInChI=1S/C17H28N4O4S/c1-19(2)26(23,24)21-12-14-5-6-15(13-21)20(11-14)8-7-17(22)18-10-16-4-3-9-25-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,18,22)/t14-,15-/m0/s1
InChIKeyKMXPMPSEHPNYHX-GJZGRUSLSA-N
MW384.50 g/mol
LogP0.49
Rot. Bonds7

About 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide

3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 133134927) has the molecular formula C17H28N4O4S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide
PubChem CID133134927
Molecular FormulaC17H28N4O4S
Molecular Weight384.50 g/mol
Exact Mass384.18
IUPAC Name3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide
SMILESCN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(CCC(=O)NCc1ccco1)C2
InChIInChI=1S/C17H28N4O4S/c1-19(2)26(23,24)21-12-14-5-6-15(13-21)20(11-14)8-7-17(22)18-10-16-4-3-9-25-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,18,22)/t14-,15-/m0/s1
InChIKeyKMXPMPSEHPNYHX-GJZGRUSLSA-N
XLogP0.49
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide 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

(1R,5R)-N,N-dimethyl-6-(3-phenoxypropyl)-3,6-diazabicyclo[3.2.2]nonane-3-sulfonamide
CID 70785958
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299780
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035911
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N-(furan-2-ylmethyl)-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3463565
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
N-(furan-2-ylmethyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139093
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide (CID 133134927) is 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide is CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N(CCC(=O)NCc1ccco1)C2.
What is the InChIKey of 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KMXPMPSEHPNYHX-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N4O4S/c1-19(2)26(23,24)21-12-14-5-6-15(13-21)20(11-14)8-7-17(22)18-10-16-4-3-9-25-16/h3-4,9,14-15H,5-8,10-13H2,1-2H3,(H,18,22)/t14-,15-/m0/s1.
What are the key properties of 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide?
3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 384.50 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5S)-3-(dimethylsulfamoyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 133134927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).