1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine

C16H23NS — CID 113449492

IUPAC1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
SMILESNC(CSc1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C16H23NS/c17-16(13-4-1-2-5-13)11-18-15-9-8-12-6-3-7-14(12)10-15/h8-10,13,16H,1-7,11,17H2
InChIKeyHEBGVDALUOYTDE-UHFFFAOYSA-N
MW261.43 g/mol
LogP3.78
Rot. Bonds4

About 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine

1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine (PubChem CID 113449492) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
PubChem CID113449492
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
SMILESNC(CSc1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C16H23NS/c17-16(13-4-1-2-5-13)11-18-15-9-8-12-6-3-7-14(12)10-15/h8-10,13,16H,1-7,11,17H2
InChIKeyHEBGVDALUOYTDE-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
The IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine (CID 113449492) is 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine is NC(CSc1ccc2c(c1)CCC2)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
The InChIKey is HEBGVDALUOYTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c17-16(13-4-1-2-5-13)11-18-15-9-8-12-6-3-7-14(12)10-15/h8-10,13,16H,1-7,11,17H2.
What are the key properties of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine?
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine has a molecular weight of 261.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine is sourced from PubChem (CID 113449492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).