(1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine

C14H15NS — CID 134964037

IUPAC(1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1c2ccccc2CC[C@H]1c1ccsc1
InChIInChI=1S/C14H15NS/c15-14-12-4-2-1-3-10(12)5-6-13(14)11-7-8-16-9-11/h1-4,7-9,13-14H,5-6,15H2/t13-,14+/m0/s1
InChIKeyFIIOOFNQBDVZSG-UONOGXRCSA-N
MW229.35 g/mol
LogP3.48
Rot. Bonds1

About (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 134964037) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134964037
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name(1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@@H]1c2ccccc2CC[C@H]1c1ccsc1
InChIInChI=1S/C14H15NS/c15-14-12-4-2-1-3-10(12)5-6-13(14)11-7-8-16-9-11/h1-4,7-9,13-14H,5-6,15H2/t13-,14+/m0/s1
InChIKeyFIIOOFNQBDVZSG-UONOGXRCSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134964037) is (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@@H]1c2ccccc2CC[C@H]1c1ccsc1.
What is the InChIKey of (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FIIOOFNQBDVZSG-UONOGXRCSA-N. The full InChI is InChI=1S/C14H15NS/c15-14-12-4-2-1-3-10(12)5-6-13(14)11-7-8-16-9-11/h1-4,7-9,13-14H,5-6,15H2/t13-,14+/m0/s1.
What are the key properties of (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 229.35 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-thiophen-3-yl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134964037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).