N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine

C10H18N2O3S — CID 79858213

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1ccc(CN)o1
InChIInChI=1S/C10H18N2O3S/c1-12(5-6-16(2,13)14)8-10-4-3-9(7-11)15-10/h3-4H,5-8,11H2,1-2H3
InChIKeyRZPTWXGBZHXCLF-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.21
Rot. Bonds6

About N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine

N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine (PubChem CID 79858213) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine
PubChem CID79858213
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine
SMILESCN(CCS(C)(=O)=O)Cc1ccc(CN)o1
InChIInChI=1S/C10H18N2O3S/c1-12(5-6-16(2,13)14)8-10-4-3-9(7-11)15-10/h3-4H,5-8,11H2,1-2H3
InChIKeyRZPTWXGBZHXCLF-UHFFFAOYSA-N
XLogP0.21
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79858301
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-methylsulfonylethanamine
CID 54939511
2-bromo-4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 79864416
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419402
5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide
CID 79858792
N-methyl-2-methylsulfonyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438475
1-(1-benzofuran-2-yl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850207
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
5-(aminomethyl)-N-methyl-N-propan-2-ylfuran-2-amine
CID 82503110

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine (CID 79858213) is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine is CN(CCS(C)(=O)=O)Cc1ccc(CN)o1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
The InChIKey is RZPTWXGBZHXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-12(5-6-16(2,13)14)8-10-4-3-9(7-11)15-10/h3-4H,5-8,11H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine has a molecular weight of 246.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-2-methylsulfonylethanamine is sourced from PubChem (CID 79858213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).