N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine

C10H17BrN2O3S — CID 86984289

IUPACN-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine
SMILESCCN(CC)S(=O)(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C10H17BrN2O3S/c1-4-13(5-2)17(14,15)12(3)8-9-6-7-10(11)16-9/h6-7H,4-5,8H2,1-3H3
InChIKeyFMJFCFMYNXDTEK-UHFFFAOYSA-N
MW325.23 g/mol
LogP2.06
Rot. Bonds6

About N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine

N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine (PubChem CID 86984289) has the molecular formula C10H17BrN2O3S and a molecular weight of 325.23 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine
PubChem CID86984289
Molecular FormulaC10H17BrN2O3S
Molecular Weight325.23 g/mol
Exact Mass324.01
IUPAC NameN-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine
SMILESCCN(CC)S(=O)(=O)N(C)Cc1ccc(Br)o1
InChIInChI=1S/C10H17BrN2O3S/c1-4-13(5-2)17(14,15)12(3)8-9-6-7-10(11)16-9/h6-7H,4-5,8H2,1-3H3
InChIKeyFMJFCFMYNXDTEK-UHFFFAOYSA-N
XLogP2.06
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[[methyl(sulfamoyl)amino]methyl]furan
CID 112684674
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N-[(5-bromofuran-2-yl)methyl]-4-methoxy-N,3,5-trimethylbenzenesulfonamide
CID 112823204
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,4,5-trimethylbenzenesulfonamide
CID 61115072
4-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073791
6-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]pyridine-3-carboxylic acid
CID 63871848
N-[(5-bromofuran-2-yl)methyl]-2-chloro-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 61047016
3-amino-N-[(5-bromofuran-2-yl)methyl]-5-chloro-N,4-dimethylbenzenesulfonamide
CID 61115068
3-[(5-bromofuran-2-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62232100
2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
CID 54873405
3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine (CID 86984289) is N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine is CCN(CC)S(=O)(=O)N(C)Cc1ccc(Br)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine?
The InChIKey is FMJFCFMYNXDTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O3S/c1-4-13(5-2)17(14,15)12(3)8-9-6-7-10(11)16-9/h6-7H,4-5,8H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine?
N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine has a molecular weight of 325.23 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl-methylsulfamoyl]-N-ethylethanamine is sourced from PubChem (CID 86984289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).