(6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C16H19NOS — CID 71080830

IUPAC(6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC[C@H](NCCc1cccs1)C2
InChIInChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2/t13-/m0/s1
InChIKeyRDMWWGLKUMLLTG-ZDUSSCGKSA-N
MW273.40 g/mol
LogP3.14
Rot. Bonds4

About (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

(6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 71080830) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID71080830
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name(6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CC[C@H](NCCc1cccs1)C2
InChIInChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2/t13-/m0/s1
InChIKeyRDMWWGLKUMLLTG-ZDUSSCGKSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 71080830) is (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CC[C@H](NCCc1cccs1)C2.
What is the InChIKey of (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is RDMWWGLKUMLLTG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19NOS/c18-16-5-1-3-12-11-13(6-7-15(12)16)17-9-8-14-4-2-10-19-14/h1-5,10,13,17-18H,6-9,11H2/t13-/m0/s1.
What are the key properties of (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
(6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 273.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-thiophen-2-ylethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 71080830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).