(5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine

C8H11NS — CID 89153781

IUPAC(5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine
SMILESN[C@@H]1CC=C2SC=CC2C1
InChIInChI=1S/C8H11NS/c9-7-1-2-8-6(5-7)3-4-10-8/h2-4,6-7H,1,5,9H2/t6?,7-/m1/s1
InChIKeyUIXRDBDKWMQVPG-COBSHVIPSA-N
MW153.25 g/mol
LogP1.87
Rot. Bonds

About (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine

(5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine (PubChem CID 89153781) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine.

Molecular Properties

Compound Name(5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine
PubChem CID89153781
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name(5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine
SMILESN[C@@H]1CC=C2SC=CC2C1
InChIInChI=1S/C8H11NS/c9-7-1-2-8-6(5-7)3-4-10-8/h2-4,6-7H,1,5,9H2/t6?,7-/m1/s1
InChIKeyUIXRDBDKWMQVPG-COBSHVIPSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine?
The IUPAC name of (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine (CID 89153781) is (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine.
What is the SMILES notation for (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine?
The canonical SMILES for (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine is N[C@@H]1CC=C2SC=CC2C1.
What is the InChIKey of (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine?
The InChIKey is UIXRDBDKWMQVPG-COBSHVIPSA-N. The full InChI is InChI=1S/C8H11NS/c9-7-1-2-8-6(5-7)3-4-10-8/h2-4,6-7H,1,5,9H2/t6?,7-/m1/s1.
What are the key properties of (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine?
(5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine has a molecular weight of 153.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3a,4,5,6-tetrahydro-1-benzothiophen-5-amine is sourced from PubChem (CID 89153781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).