6-(1-benzothiophen-5-ylamino)hexanoic acid

C14H17NO2S — CID 65476249

IUPAC6-(1-benzothiophen-5-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNc1ccc2sccc2c1
InChIInChI=1S/C14H17NO2S/c16-14(17)4-2-1-3-8-15-12-5-6-13-11(10-12)7-9-18-13/h5-7,9-10,15H,1-4,8H2,(H,16,17)
InChIKeyGJUYXOZYSLYFAE-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.96
Rot. Bonds7

About 6-(1-benzothiophen-5-ylamino)hexanoic acid

6-(1-benzothiophen-5-ylamino)hexanoic acid (PubChem CID 65476249) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 6-(1-benzothiophen-5-ylamino)hexanoic acid.

Molecular Properties

Compound Name6-(1-benzothiophen-5-ylamino)hexanoic acid
PubChem CID65476249
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name6-(1-benzothiophen-5-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNc1ccc2sccc2c1
InChIInChI=1S/C14H17NO2S/c16-14(17)4-2-1-3-8-15-12-5-6-13-11(10-12)7-9-18-13/h5-7,9-10,15H,1-4,8H2,(H,16,17)
InChIKeyGJUYXOZYSLYFAE-UHFFFAOYSA-N
XLogP3.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
ethyl 3-(1-benzothiophen-5-ylamino)propanoate
CID 65474309
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062
N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
CID 65475667
4-amino-5-(1-benzothiophen-5-ylamino)-5-oxopentanoic acid
CID 64897152
4-(1H-indol-5-ylamino)butanoic acid
CID 82539531
2-(1-benzothiophen-5-ylamino)-N-propylacetamide
CID 60751180
5-anilinopentanoic acid
CID 28972030

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-5-ylamino)hexanoic acid?
The IUPAC name of 6-(1-benzothiophen-5-ylamino)hexanoic acid (CID 65476249) is 6-(1-benzothiophen-5-ylamino)hexanoic acid.
What is the SMILES notation for 6-(1-benzothiophen-5-ylamino)hexanoic acid?
The canonical SMILES for 6-(1-benzothiophen-5-ylamino)hexanoic acid is O=C(O)CCCCCNc1ccc2sccc2c1.
What is the InChIKey of 6-(1-benzothiophen-5-ylamino)hexanoic acid?
The InChIKey is GJUYXOZYSLYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c16-14(17)4-2-1-3-8-15-12-5-6-13-11(10-12)7-9-18-13/h5-7,9-10,15H,1-4,8H2,(H,16,17).
What are the key properties of 6-(1-benzothiophen-5-ylamino)hexanoic acid?
6-(1-benzothiophen-5-ylamino)hexanoic acid has a molecular weight of 263.36 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-5-ylamino)hexanoic acid is sourced from PubChem (CID 65476249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).