2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide

C11H18BrN3O3S — CID 106075338

IUPAC2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NN2CCCCC2)c(Br)o1
InChIInChI=1S/C11H18BrN3O3S/c1-13-8-9-7-10(11(12)18-9)19(16,17)14-15-5-3-2-4-6-15/h7,13-14H,2-6,8H2,1H3
InChIKeyWXWYQRZAEGFQSF-UHFFFAOYSA-N
MW352.25 g/mol
LogP1.44
Rot. Bonds5

About 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide (PubChem CID 106075338) has the molecular formula C11H18BrN3O3S and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
PubChem CID106075338
Molecular FormulaC11H18BrN3O3S
Molecular Weight352.25 g/mol
Exact Mass351.03
IUPAC Name2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NN2CCCCC2)c(Br)o1
InChIInChI=1S/C11H18BrN3O3S/c1-13-8-9-7-10(11(12)18-9)19(16,17)14-15-5-3-2-4-6-15/h7,13-14H,2-6,8H2,1H3
InChIKeyWXWYQRZAEGFQSF-UHFFFAOYSA-N
XLogP1.44
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
CID 106075537
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
1-[5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)sulfonylfuran-2-yl]-N-methylmethanamine
CID 107396218
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783
2-bromo-5-(methylaminomethyl)-N-(3-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106092238
2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106094069

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide (CID 106075338) is 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide is CNCc1cc(S(=O)(=O)NN2CCCCC2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide?
The InChIKey is WXWYQRZAEGFQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O3S/c1-13-8-9-7-10(11(12)18-9)19(16,17)14-15-5-3-2-4-6-15/h7,13-14H,2-6,8H2,1H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide has a molecular weight of 352.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide is sourced from PubChem (CID 106075338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).