2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide

C13H22BrN3O3S — CID 106094069

IUPAC2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1cc(CNC)oc1Br)C1CC1
InChIInChI=1S/C13H22BrN3O3S/c1-3-17(10-4-5-10)7-6-16-21(18,19)12-8-11(9-15-2)20-13(12)14/h8,10,15-16H,3-7,9H2,1-2H3
InChIKeyCUSKBQDMFHEADA-UHFFFAOYSA-N
MW380.31 g/mol
LogP1.52
Rot. Bonds9

About 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide

2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106094069) has the molecular formula C13H22BrN3O3S and a molecular weight of 380.31 g/mol. Its IUPAC name is 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106094069
Molecular FormulaC13H22BrN3O3S
Molecular Weight380.31 g/mol
Exact Mass379.06
IUPAC Name2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCCN(CCNS(=O)(=O)c1cc(CNC)oc1Br)C1CC1
InChIInChI=1S/C13H22BrN3O3S/c1-3-17(10-4-5-10)7-6-16-21(18,19)12-8-11(9-15-2)20-13(12)14/h8,10,15-16H,3-7,9H2,1-2H3
InChIKeyCUSKBQDMFHEADA-UHFFFAOYSA-N
XLogP1.52
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106094078
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]benzenesulfonamide
CID 104859212
N-[2-[cyclopropyl(ethyl)amino]ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094042
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)furan-2-sulfonamide
CID 106062802
2-bromo-N-[2-[cyclopropyl(methyl)amino]ethyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106062831
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide (CID 106094069) is 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide is CCN(CCNS(=O)(=O)c1cc(CNC)oc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is CUSKBQDMFHEADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3O3S/c1-3-17(10-4-5-10)7-6-16-21(18,19)12-8-11(9-15-2)20-13(12)14/h8,10,15-16H,3-7,9H2,1-2H3.
What are the key properties of 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide?
2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 380.31 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106094069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).