1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine

C18H25NS2 — CID 65138997

IUPAC1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1csc2ccccc12
InChIInChI=1S/C18H25NS2/c1-2-19-15(13-20-16-7-3-4-8-16)11-14-12-21-18-10-6-5-9-17(14)18/h5-6,9-10,12,15-16,19H,2-4,7-8,11,13H2,1H3
InChIKeyLBRZKVTUOPVUEK-UHFFFAOYSA-N
MW319.54 g/mol
LogP5.10
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine

1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine (PubChem CID 65138997) has the molecular formula C18H25NS2 and a molecular weight of 319.54 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
PubChem CID65138997
Molecular FormulaC18H25NS2
Molecular Weight319.54 g/mol
Exact Mass319.14
IUPAC Name1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC1CCCC1)Cc1csc2ccccc12
InChIInChI=1S/C18H25NS2/c1-2-19-15(13-20-16-7-3-4-8-16)11-14-12-21-18-10-6-5-9-17(14)18/h5-6,9-10,12,15-16,19H,2-4,7-8,11,13H2,1H3
InChIKeyLBRZKVTUOPVUEK-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentylsulfanyl-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 65140412
1-(1-benzothiophen-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 63737763
1-cyclohexylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65144146
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopentylsulfanylacetamide
CID 146079150
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
1-cyclohexylsulfanyl-3-(2,6-difluorophenyl)-N-ethylpropan-2-amine
CID 114932112
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-(1-benzothiophen-3-yl)-N-ethyl-1-(1-ethylcyclopentyl)ethanamine
CID 115823821
1-(3-bromophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 65140515
1-(1-benzothiophen-3-yl)butan-2-ylhydrazine
CID 105201011

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine (CID 65138997) is 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine is CCNC(CSC1CCCC1)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
The InChIKey is LBRZKVTUOPVUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NS2/c1-2-19-15(13-20-16-7-3-4-8-16)11-14-12-21-18-10-6-5-9-17(14)18/h5-6,9-10,12,15-16,19H,2-4,7-8,11,13H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine?
1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine has a molecular weight of 319.54 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 65138997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).