2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine

C15H21NS — CID 80623180

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine
SMILESNC(Cc1ccc2c(c1)CCC2)C1CCCS1
InChIInChI=1S/C15H21NS/c16-14(15-5-2-8-17-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,14-15H,1-5,8,10,16H2
InChIKeyYKAHNJADOVQWTH-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.94
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine

2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80623180) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine
PubChem CID80623180
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine
SMILESNC(Cc1ccc2c(c1)CCC2)C1CCCS1
InChIInChI=1S/C15H21NS/c16-14(15-5-2-8-17-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,14-15H,1-5,8,10,16H2
InChIKeyYKAHNJADOVQWTH-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80622702
2-(3,4-dichlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627542
2-(4-ethylphenyl)-1-(thian-2-yl)ethanamine
CID 80626451
2-(4-chlorophenyl)-1-(thian-2-yl)ethanamine
CID 80627768
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
2-(2-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80623175
1-cyclopentyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 115865018
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444601
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine
CID 80621765
[1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)propan-2-yl]hydrazine
CID 103170568

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine (CID 80623180) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine is NC(Cc1ccc2c(c1)CCC2)C1CCCS1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is YKAHNJADOVQWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c16-14(15-5-2-8-17-15)10-11-6-7-12-3-1-4-13(12)9-11/h6-7,9,14-15H,1-5,8,10,16H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine?
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 247.41 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80623180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).