N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine

C11H20N2O2S2 — CID 107557165

IUPACN-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
SMILESCNCc1ccc(CN(C)CCS(C)(=O)=O)s1
InChIInChI=1S/C11H20N2O2S2/c1-12-8-10-4-5-11(16-10)9-13(2)6-7-17(3,14)15/h4-5,12H,6-9H2,1-3H3
InChIKeyPBYQEVNGUUSFFJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP0.94
Rot. Bonds7

About N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine

N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine (PubChem CID 107557165) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
PubChem CID107557165
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
SMILESCNCc1ccc(CN(C)CCS(C)(=O)=O)s1
InChIInChI=1S/C11H20N2O2S2/c1-12-8-10-4-5-11(16-10)9-13(2)6-7-17(3,14)15/h4-5,12H,6-9H2,1-3H3
InChIKeyPBYQEVNGUUSFFJ-UHFFFAOYSA-N
XLogP0.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
CID 107555940
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)aniline
CID 79849570
2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 107556095
N-methyl-4-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
CID 79859441
4-[[methyl(2-methylsulfonylethyl)amino]methyl]aniline
CID 60917459
N-methyl-2-methylsulfonyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438475
2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556414
N-[[5-[[methyl(propyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555762
N-[[4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 79859507

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine?
The IUPAC name of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine (CID 107557165) is N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine.
What is the SMILES notation for N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine?
The canonical SMILES for N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine is CNCc1ccc(CN(C)CCS(C)(=O)=O)s1.
What is the InChIKey of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine?
The InChIKey is PBYQEVNGUUSFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-12-8-10-4-5-11(16-10)9-13(2)6-7-17(3,14)15/h4-5,12H,6-9H2,1-3H3.
What are the key properties of N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine?
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine has a molecular weight of 276.43 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine is sourced from PubChem (CID 107557165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).