2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide

C13H21BrN2O3S — CID 106066089

IUPAC2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCCC2)c(Br)o1
InChIInChI=1S/C13H21BrN2O3S/c1-9(10-5-3-4-6-10)16-20(17,18)12-7-11(8-15-2)19-13(12)14/h7,9-10,15-16H,3-6,8H2,1-2H3
InChIKeySAGBCPNLVONNJZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.62
Rot. Bonds6

About 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide

2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106066089) has the molecular formula C13H21BrN2O3S and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106066089
Molecular FormulaC13H21BrN2O3S
Molecular Weight365.29 g/mol
Exact Mass364.05
IUPAC Name2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC(C)C2CCCC2)c(Br)o1
InChIInChI=1S/C13H21BrN2O3S/c1-9(10-5-3-4-6-10)16-20(17,18)12-7-11(8-15-2)19-13(12)14/h7,9-10,15-16H,3-6,8H2,1-2H3
InChIKeySAGBCPNLVONNJZ-UHFFFAOYSA-N
XLogP2.62
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
N-(1-cyclobutylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106084917
2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075338
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147220
2-bromo-5-(methylaminomethyl)-N-(3-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106092238
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
2-bromo-N-(1-cyclobutylethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106084740
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide (CID 106066089) is 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NC(C)C2CCCC2)c(Br)o1.
What is the InChIKey of 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is SAGBCPNLVONNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S/c1-9(10-5-3-4-6-10)16-20(17,18)12-7-11(8-15-2)19-13(12)14/h7,9-10,15-16H,3-6,8H2,1-2H3.
What are the key properties of 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide?
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 365.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106066089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).