4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine

C14H15NS — CID 82028256

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine
SMILESNc1cc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C14H15NS/c15-14-8-13(9-16-14)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4,15H2
InChIKeyYSLKHUKXHKBOPR-UHFFFAOYSA-N
MW229.35 g/mol
LogP3.88
Rot. Bonds1

About 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine

4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine (PubChem CID 82028256) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine
PubChem CID82028256
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine
SMILESNc1cc(-c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C14H15NS/c15-14-8-13(9-16-14)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4,15H2
InChIKeyYSLKHUKXHKBOPR-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine (CID 82028256) is 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine is Nc1cc(-c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine?
The InChIKey is YSLKHUKXHKBOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS/c15-14-8-13(9-16-14)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4,15H2.
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine?
4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine has a molecular weight of 229.35 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophen-2-amine is sourced from PubChem (CID 82028256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).