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

C18H27NS — CID 104755464

IUPAC1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
SMILESCCNC(CSc1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C18H27NS/c1-2-19-18(15-6-3-4-7-15)13-20-17-11-10-14-8-5-9-16(14)12-17/h10-12,15,18-19H,2-9,13H2,1H3
InChIKeyFOFOHISEROTBOR-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.44
Rot. Bonds6

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

1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine (PubChem CID 104755464) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
PubChem CID104755464
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine
SMILESCCNC(CSc1ccc2c(c1)CCC2)C1CCCC1
InChIInChI=1S/C18H27NS/c1-2-19-18(15-6-3-4-7-15)13-20-17-11-10-14-8-5-9-16(14)12-17/h10-12,15,18-19H,2-9,13H2,1H3
InChIKeyFOFOHISEROTBOR-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanamine
CID 113449492
1-cyclopentyl-N-ethyl-2-(4-nitrophenyl)sulfanylethanamine
CID 104755038
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylpentan-2-amine
CID 64648659
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290
N-[1-cyclopentyl-2-(3,4-dichlorophenyl)sulfanylethyl]propan-1-amine
CID 104755864
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
1-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64648658
N-[1-cyclopentyl-2-(4-methylphenyl)sulfanylethyl]propan-1-amine
CID 66066013
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
CID 106808314
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
N-ethyl-1-(4-ethylcyclohexyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66066304

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine?
The IUPAC name of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine (CID 104755464) is 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine is CCNC(CSc1ccc2c(c1)CCC2)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine?
The InChIKey is FOFOHISEROTBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-2-19-18(15-6-3-4-7-15)13-20-17-11-10-14-8-5-9-16(14)12-17/h10-12,15,18-19H,2-9,13H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine?
1-cyclopentyl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylethanamine has a molecular weight of 289.49 g/mol, XLogP of 4.44, 6 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)-N-ethylethanamine is sourced from PubChem (CID 104755464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).