1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine

C13H17ClN2S2 — CID 107556205

IUPAC1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(CN(C)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C13H17ClN2S2/c1-15-7-10-3-4-11(17-10)8-16(2)9-12-5-6-13(14)18-12/h3-6,15H,7-9H2,1-2H3
InChIKeyMVKFELUSALWAGT-UHFFFAOYSA-N
MW300.88 g/mol
LogP3.81
Rot. Bonds6

About 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107556205) has the molecular formula C13H17ClN2S2 and a molecular weight of 300.88 g/mol. Its IUPAC name is 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107556205
Molecular FormulaC13H17ClN2S2
Molecular Weight300.88 g/mol
Exact Mass300.05
IUPAC Name1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(CN(C)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C13H17ClN2S2/c1-15-7-10-3-4-11(17-10)8-16(2)9-12-5-6-13(14)18-12/h3-6,15H,7-9H2,1-2H3
InChIKeyMVKFELUSALWAGT-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.88
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
[(5-chlorothiophen-2-yl)methyl-methylamino]methyl-trifluoroboranuide
CID 63705419
1-(5-chlorothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]methanamine
CID 62256779
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132808
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323
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
1-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-one
CID 62053436
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine (CID 107556205) is 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(CN(C)Cc2ccc(Cl)s2)s1.
What is the InChIKey of 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is MVKFELUSALWAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S2/c1-15-7-10-3-4-11(17-10)8-16(2)9-12-5-6-13(14)18-12/h3-6,15H,7-9H2,1-2H3.
What are the key properties of 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine has a molecular weight of 300.88 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107556205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).