(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine

C14H16N2S — CID 30113239

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine
SMILESNC[C@@H](c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C14H16N2S/c15-10-13(14-6-3-9-17-14)16-8-7-11-4-1-2-5-12(11)16/h1-6,9,13H,7-8,10,15H2/t13-/m0/s1
InChIKeyITVVYNAWWVVXJJ-ZDUSSCGKSA-N
MW244.36 g/mol
LogP2.81
Rot. Bonds3

About (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine

(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine (PubChem CID 30113239) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine
PubChem CID30113239
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine
SMILESNC[C@@H](c1cccs1)N1CCc2ccccc21
InChIInChI=1S/C14H16N2S/c15-10-13(14-6-3-9-17-14)16-8-7-11-4-1-2-5-12(11)16/h1-6,9,13H,7-8,10,15H2/t13-/m0/s1
InChIKeyITVVYNAWWVVXJJ-ZDUSSCGKSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2976089
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
2-amino-N,N-dimethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10061179
(S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 44315697
(S)-1-Methyl-2-(6-methylsulfanyl-2,3-dihydro-indol-1-yl)-ethylamine
CID 44315993
(S)-2-(6-Ethylsulfanyl-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 44316027
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-(thien-2-ylmethyl)thiourea
CID 4600984
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dihydroindol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 3190318
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-thiophen-2-ylaniline
CID 44369351
2-[2-(3-Methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
CID 45261382
2-[2-(Methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine (CID 30113239) is (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine is NC[C@@H](c1cccs1)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine?
The InChIKey is ITVVYNAWWVVXJJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N2S/c15-10-13(14-6-3-9-17-14)16-8-7-11-4-1-2-5-12(11)16/h1-6,9,13H,7-8,10,15H2/t13-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine?
(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine has a molecular weight of 244.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 30113239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).