(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine

C24H23NS — CID 155936660

IUPAC(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine
SMILESC[C@@H](c1ccc2sccc2c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NS/c1-19(22-12-13-24-23(16-22)14-15-26-24)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-16,19H,17-18H2,1H3/t19-/m0/s1
InChIKeyWATQUKJGLSAQDB-IBGZPJMESA-N
MW357.52 g/mol
LogP6.66
Rot. Bonds6

About (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine

(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine (PubChem CID 155936660) has the molecular formula C24H23NS and a molecular weight of 357.52 g/mol. Its IUPAC name is (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine.

Molecular Properties

Compound Name(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine
PubChem CID155936660
Molecular FormulaC24H23NS
Molecular Weight357.52 g/mol
Exact Mass357.16
IUPAC Name(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine
SMILESC[C@@H](c1ccc2sccc2c1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H23NS/c1-19(22-12-13-24-23(16-22)14-15-26-24)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-16,19H,17-18H2,1H3/t19-/m0/s1
InChIKeyWATQUKJGLSAQDB-IBGZPJMESA-N
XLogP6.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine?
The IUPAC name of (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine (CID 155936660) is (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine.
What is the SMILES notation for (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine?
The canonical SMILES for (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine is C[C@@H](c1ccc2sccc2c1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine?
The InChIKey is WATQUKJGLSAQDB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23NS/c1-19(22-12-13-24-23(16-22)14-15-26-24)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-16,19H,17-18H2,1H3/t19-/m0/s1.
What are the key properties of (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine?
(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine has a molecular weight of 357.52 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine is sourced from PubChem (CID 155936660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).