5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol

C17H27NOS — CID 106810962

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCSc1ccc2c(c1)CCC2)NC
InChIInChI=1S/C17H27NOS/c1-3-17(13-19,18-2)10-5-11-20-16-9-8-14-6-4-7-15(14)12-16/h8-9,12,18-19H,3-7,10-11,13H2,1-2H3
InChIKeyOHGJHOHEUGSMER-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.41
Rot. Bonds8

About 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol

5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol (PubChem CID 106810962) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol
PubChem CID106810962
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol
SMILESCCC(CO)(CCCSc1ccc2c(c1)CCC2)NC
InChIInChI=1S/C17H27NOS/c1-3-17(13-19,18-2)10-5-11-20-16-9-8-14-6-4-7-15(14)12-16/h8-9,12,18-19H,3-7,10-11,13H2,1-2H3
InChIKeyOHGJHOHEUGSMER-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(methylamino)-5-phenylsulfanylpentan-1-ol
CID 106811106
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylbutan-1-ol
CID 64807072
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(methylamino)propan-1-ol
CID 64807073
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)hexan-3-one
CID 104623542
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)pentan-2-one
CID 43425970
5-(4-chlorobutylsulfanyl)-2,3-dihydro-1H-indene
CID 63499850
6-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylhexan-3-amine
CID 106808314
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-methyl-2-(propylamino)butanoic acid
CID 63465674
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807080
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810815
2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propanoic acid
CID 63918452
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(methylamino)pentan-1-ol
CID 106811132

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol (CID 106810962) is 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol is CCC(CO)(CCCSc1ccc2c(c1)CCC2)NC.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol?
The InChIKey is OHGJHOHEUGSMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-17(13-19,18-2)10-5-11-20-16-9-8-14-6-4-7-15(14)12-16/h8-9,12,18-19H,3-7,10-11,13H2,1-2H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol?
5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol has a molecular weight of 293.48 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-ethyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 106810962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).