4,5,6,7-tetrahydro-1-benzothiophen-5-amine

C8H11NS — CID 10866545

IUPAC4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESNC1CCc2sccc2C1
InChIInChI=1S/C8H11NS/c9-7-1-2-8-6(5-7)3-4-10-8/h3-4,7H,1-2,5,9H2
InChIKeyWYDZASIIIWMQNI-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.56
Rot. Bonds

About 4,5,6,7-tetrahydro-1-benzothiophen-5-amine

4,5,6,7-tetrahydro-1-benzothiophen-5-amine (PubChem CID 10866545) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1-benzothiophen-5-amine
PubChem CID10866545
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4,5,6,7-tetrahydro-1-benzothiophen-5-amine
SMILESNC1CCc2sccc2C1
InChIInChI=1S/C8H11NS/c9-7-1-2-8-6(5-7)3-4-10-8/h3-4,7H,1-2,5,9H2
InChIKeyWYDZASIIIWMQNI-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Thiophen-2-yl)cyclohexyl]methanamine
CID 16494915
Benzo[b]thiophene-3-ethanamine
CID 26743
1-(1-(Thiophen-2-yl)cyclohexyl)ethanamine
CID 24860900
Benzo(b)thiophene-3-ethylamine, hydrochloride
CID 209554
2-(1-Benzothiophen-2-yl)ethan-1-amine
CID 12666893
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-6-yl)-amine
CID 10130933
Dipropyl-(4,5,6,7-tetrahydro-benzo[b]thiophen-5-yl)-amine
CID 10421679
4,5,6,7-Tetrahydro-1-benzothiophen-4-amine
CID 4216372
(2,3-Dihydro-1-benzothiophen-3-yl)methanamine
CID 21834230
2,3-Dihydro-1-benzothiophen-3-amine
CID 43539109
(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648
Phenyl(thiophen-2-yl)methanamine
CID 335613

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The IUPAC name of 4,5,6,7-tetrahydro-1-benzothiophen-5-amine (CID 10866545) is 4,5,6,7-tetrahydro-1-benzothiophen-5-amine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The canonical SMILES for 4,5,6,7-tetrahydro-1-benzothiophen-5-amine is NC1CCc2sccc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
The InChIKey is WYDZASIIIWMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c9-7-1-2-8-6(5-7)3-4-10-8/h3-4,7H,1-2,5,9H2.
What are the key properties of 4,5,6,7-tetrahydro-1-benzothiophen-5-amine?
4,5,6,7-tetrahydro-1-benzothiophen-5-amine has a molecular weight of 153.25 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1-benzothiophen-5-amine is sourced from PubChem (CID 10866545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).