N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide

C15H17NO2S — CID 134858225

IUPACN-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
SMILESCC(=S)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C15H17NO2S/c1-11(19)16-9-13(17)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,17H,9-10H2,1H3,(H,16,19)
InChIKeyUOYUTIUYDIJXEF-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.52
Rot. Bonds5

About N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide

N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide (PubChem CID 134858225) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
PubChem CID134858225
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
SMILESCC(=S)NCC(O)COc1cccc2ccccc12
InChIInChI=1S/C15H17NO2S/c1-11(19)16-9-13(17)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,17H,9-10H2,1H3,(H,16,19)
InChIKeyUOYUTIUYDIJXEF-UHFFFAOYSA-N
XLogP2.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-(butan-2-ylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 20517366
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
1-[2-(2-hydroxy-3-naphthalen-1-yloxypropyl)hydrazinyl]-3-naphthalen-2-yloxypropan-2-ol
CID 170687383
1-(4-bromoanilino)-3-naphthalen-1-yloxypropan-2-ol
CID 23884461

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide?
The IUPAC name of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide (CID 134858225) is N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide.
What is the SMILES notation for N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide?
The canonical SMILES for N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide is CC(=S)NCC(O)COc1cccc2ccccc12.
What is the InChIKey of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide?
The InChIKey is UOYUTIUYDIJXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11(19)16-9-13(17)10-18-15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,17H,9-10H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide?
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide has a molecular weight of 275.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide is sourced from PubChem (CID 134858225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).