1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine

C14H19NS2 — CID 105172818

IUPAC1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)c1cccc2ccsc12
InChIInChI=1S/C14H19NS2/c1-3-15-13(8-9-16-2)12-6-4-5-11-7-10-17-14(11)12/h4-7,10,13,15H,3,8-9H2,1-2H3
InChIKeyWIRFAELGLNCVKT-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.30
Rot. Bonds6

About 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine

1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine (PubChem CID 105172818) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine
PubChem CID105172818
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine
SMILESCCNC(CCSC)c1cccc2ccsc12
InChIInChI=1S/C14H19NS2/c1-3-15-13(8-9-16-2)12-6-4-5-11-7-10-17-14(11)12/h4-7,10,13,15H,3,8-9H2,1-2H3
InChIKeyWIRFAELGLNCVKT-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
CID 81153093
1-(1-benzothiophen-7-yl)-N-propylpentan-1-amine
CID 81153216
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
1-(1-benzothiophen-7-yl)-N-propylheptan-1-amine
CID 105021936
1-(1-benzothiophen-7-yl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 81154263
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078
N-[1-benzothiophen-7-yl(pyridazin-4-yl)methyl]ethanamine
CID 105172732
N-[1-benzothiophen-7-yl(pyridin-2-yl)methyl]ethanamine
CID 81153684
7-(1-chlorobutyl)-1-benzothiophene
CID 126973958

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine (CID 105172818) is 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine is CCNC(CCSC)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine?
The InChIKey is WIRFAELGLNCVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-3-15-13(8-9-16-2)12-6-4-5-11-7-10-17-14(11)12/h4-7,10,13,15H,3,8-9H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine?
1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine has a molecular weight of 265.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105172818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).