5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide

C12H19BrN2O3S2 — CID 106090773

IUPAC5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cc(CN)oc2Br)CC1
InChIInChI=1S/C12H19BrN2O3S2/c1-19-10-4-2-8(3-5-10)15-20(16,17)11-6-9(7-14)18-12(11)13/h6,8,10,15H,2-5,7,14H2,1H3
InChIKeyDBTRMLYASVTKKL-UHFFFAOYSA-N
MW383.33 g/mol
LogP2.45
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide (PubChem CID 106090773) has the molecular formula C12H19BrN2O3S2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
PubChem CID106090773
Molecular FormulaC12H19BrN2O3S2
Molecular Weight383.33 g/mol
Exact Mass382.00
IUPAC Name5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCC(NS(=O)(=O)c2cc(CN)oc2Br)CC1
InChIInChI=1S/C12H19BrN2O3S2/c1-19-10-4-2-8(3-5-10)15-20(16,17)11-6-9(7-14)18-12(11)13/h6,8,10,15H,2-5,7,14H2,1H3
InChIKeyDBTRMLYASVTKKL-UHFFFAOYSA-N
XLogP2.45
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
2-bromo-5-(methylaminomethyl)-N-(3-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106092238
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889
5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106000990
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
5-(aminomethyl)-2-bromo-N-(2-cyclopropylpropan-2-yl)furan-3-sulfonamide
CID 106091146
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236
3-(aminomethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106090779
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
5-(aminomethyl)-2-methyl-N-(2-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106091691

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide (CID 106090773) is 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide is CSC1CCC(NS(=O)(=O)c2cc(CN)oc2Br)CC1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The InChIKey is DBTRMLYASVTKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S2/c1-19-10-4-2-8(3-5-10)15-20(16,17)11-6-9(7-14)18-12(11)13/h6,8,10,15H,2-5,7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide has a molecular weight of 383.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide is sourced from PubChem (CID 106090773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).