N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine

C13H24N2S2 — CID 114238261

IUPACN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCCNCc1ccc(CN(C)CCCSC)s1
InChIInChI=1S/C13H24N2S2/c1-4-14-10-12-6-7-13(17-12)11-15(2)8-5-9-16-3/h6-7,14H,4-5,8-11H2,1-3H3
InChIKeyFFPIYUZMDJKGLH-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.04
Rot. Bonds9

About N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine

N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 114238261) has the molecular formula C13H24N2S2 and a molecular weight of 272.48 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID114238261
Molecular FormulaC13H24N2S2
Molecular Weight272.48 g/mol
Exact Mass272.14
IUPAC NameN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCCNCc1ccc(CN(C)CCCSC)s1
InChIInChI=1S/C13H24N2S2/c1-4-14-10-12-6-7-13(17-12)11-15(2)8-5-9-16-3/h6-7,14H,4-5,8-11H2,1-3H3
InChIKeyFFPIYUZMDJKGLH-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
CID 107557297
N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557224
5-[[methyl(3-methylsulfanylpropyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
CID 114237921
5-(ethylaminomethyl)-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 106078061
N-[[2-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665620
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
CID 107556468
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665581
N-[(5-methoxythiophen-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 115702501
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107555656
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80727884
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylpropan-1-amine
CID 80728450

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine (CID 114238261) is N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine is CCNCc1ccc(CN(C)CCCSC)s1.
What is the InChIKey of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is FFPIYUZMDJKGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S2/c1-4-14-10-12-6-7-13(17-12)11-15(2)8-5-9-16-3/h6-7,14H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine?
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 114238261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).