4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide

C15H23N3O4S — CID 119639521

IUPAC4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C15H23N3O4S/c1-10-13(8-14(22-10)23(20,21)17(2)3)15(19)18-7-6-11-4-5-12(9-18)16-11/h8,11-12,16H,4-7,9H2,1-3H3
InChIKeyZHHNAGHXVPWNIA-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.80
Rot. Bonds3

About 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide

4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide (PubChem CID 119639521) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
PubChem CID119639521
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
SMILESCc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC2CCC(C1)N2
InChIInChI=1S/C15H23N3O4S/c1-10-13(8-14(22-10)23(20,21)17(2)3)15(19)18-7-6-11-4-5-12(9-18)16-11/h8,11-12,16H,4-7,9H2,1-3H3
InChIKeyZHHNAGHXVPWNIA-UHFFFAOYSA-N
XLogP0.80
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide with MolForge

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Related Compounds

4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119648455
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide;hydrochloride
CID 119625506
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
CID 2736868
1-[5-(dimethylsulfamoyl)-2-methylfuran-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113960
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2,4-dimethylphenyl)methanone
CID 81483355
4-(7-bromo-6-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide
CID 154873477
3,9-diazabicyclo[4.2.1]nonan-3-yl-(3,5-dimethylphenyl)methanone
CID 81482499
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methylthiophen-3-yl)methanone;hydrochloride
CID 119635898
(5-bromo-2-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone;hydrochloride
CID 119635913
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 119635407
(2-bromo-3-methylphenyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 107983220
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 119638653

Frequently Asked Questions

What is the IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide?
The IUPAC name of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide (CID 119639521) is 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide.
What is the SMILES notation for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide?
The canonical SMILES for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide is Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC2CCC(C1)N2.
What is the InChIKey of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide?
The InChIKey is ZHHNAGHXVPWNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-10-13(8-14(22-10)23(20,21)17(2)3)15(19)18-7-6-11-4-5-12(9-18)16-11/h8,11-12,16H,4-7,9H2,1-3H3.
What are the key properties of 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide?
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide has a molecular weight of 341.43 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-N,N,5-trimethylfuran-2-sulfonamide is sourced from PubChem (CID 119639521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).