1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine

C17H23NS2 — CID 81153093

IUPAC1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)c1cccc2ccsc12
InChIInChI=1S/C17H23NS2/c1-2-18-16(12-20-14-7-3-4-8-14)15-9-5-6-13-10-11-19-17(13)15/h5-6,9-11,14,16,18H,2-4,7-8,12H2,1H3
InChIKeyUORHWCHNNBWITB-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.23
Rot. Bonds6

About 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine

1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine (PubChem CID 81153093) has the molecular formula C17H23NS2 and a molecular weight of 305.51 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
PubChem CID81153093
Molecular FormulaC17H23NS2
Molecular Weight305.51 g/mol
Exact Mass305.13
IUPAC Name1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine
SMILESCCNC(CSC1CCCC1)c1cccc2ccsc12
InChIInChI=1S/C17H23NS2/c1-2-18-16(12-20-14-7-3-4-8-14)15-9-5-6-13-10-11-19-17(13)15/h5-6,9-11,14,16,18H,2-4,7-8,12H2,1H3
InChIKeyUORHWCHNNBWITB-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine with MolForge

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Related Compounds

[1-(1-benzothiophen-7-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227744
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
1-(1-benzothiophen-7-yl)-N-ethyl-3-methylsulfanylpropan-1-amine
CID 105172818
2-cyclohexylsulfanyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988667
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
3-[2-cyclohexylsulfanyl-1-(ethylamino)ethyl]pyridin-2-amine
CID 65144541
N-[1-benzothiophen-7-yl(oxan-4-yl)methyl]ethanamine
CID 81153210
N-[1-benzothiophen-7-yl(cyclohexyl)methyl]propan-1-amine
CID 81154118
1-(1-benzothiophen-7-yl)-N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 81153300
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
1-(1-benzothiophen-7-yl)-1-N-ethyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 81154263

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine (CID 81153093) is 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine is CCNC(CSC1CCCC1)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine?
The InChIKey is UORHWCHNNBWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NS2/c1-2-18-16(12-20-14-7-3-4-8-14)15-9-5-6-13-10-11-19-17(13)15/h5-6,9-11,14,16,18H,2-4,7-8,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine?
1-(1-benzothiophen-7-yl)-2-cyclopentylsulfanyl-N-ethylethanamine has a molecular weight of 305.51 g/mol, XLogP of 5.23, 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)-2-cyclopentylsulfanyl-N-ethylethanamine is sourced from PubChem (CID 81153093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).