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

C14H19ClN2S2 — CID 107556200

IUPACN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C14H19ClN2S2/c1-3-16-8-11-4-5-12(18-11)9-17(2)10-13-6-7-14(15)19-13/h4-7,16H,3,8-10H2,1-2H3
InChIKeyLUAZCMHMZDAYPS-UHFFFAOYSA-N
MW314.91 g/mol
LogP4.20
Rot. Bonds7

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

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine (PubChem CID 107556200) has the molecular formula C14H19ClN2S2 and a molecular weight of 314.91 g/mol. Its IUPAC name is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
PubChem CID107556200
Molecular FormulaC14H19ClN2S2
Molecular Weight314.91 g/mol
Exact Mass314.07
IUPAC NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(CN(C)Cc2ccc(Cl)s2)s1
InChIInChI=1S/C14H19ClN2S2/c1-3-16-8-11-4-5-12(18-11)9-17(2)10-13-6-7-14(15)19-13/h4-7,16H,3,8-10H2,1-2H3
InChIKeyLUAZCMHMZDAYPS-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884
N-[[6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106906102
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107556204
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62430691
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
CID 107557297
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
CID 62281503
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 114238261
N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557224
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine (CID 107556200) is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(CN(C)Cc2ccc(Cl)s2)s1.
What is the InChIKey of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine?
The InChIKey is LUAZCMHMZDAYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2S2/c1-3-16-8-11-4-5-12(18-11)9-17(2)10-13-6-7-14(15)19-13/h4-7,16H,3,8-10H2,1-2H3.
What are the key properties of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine?
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine has a molecular weight of 314.91 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107556200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).