2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone

C15H19NO2S — CID 60652352

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)N1CCOCC1
InChIInChI=1S/C15H19NO2S/c17-15(16-6-8-18-9-7-16)11-19-14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11H2
InChIKeySKHMRFLPGBDINH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.13
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone (PubChem CID 60652352) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
PubChem CID60652352
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)N1CCOCC1
InChIInChI=1S/C15H19NO2S/c17-15(16-6-8-18-9-7-16)11-19-14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11H2
InChIKeySKHMRFLPGBDINH-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
CID 60652389
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32532401
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51184678
2-(4-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 54911266
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(3-hydroxyphenyl)sulfanyl-1-morpholin-4-ylethanone
CID 113430046
4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-1,4-diazepan-2-one
CID 62897040
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 51269779
8-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-2-methyl-1-oxa-4,8-diazaspiro[4.5]decan-3-one
CID 166259314
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 38575123
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260868
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 56797029

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone (CID 60652352) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone is O=C(CSc1ccc2c(c1)CCC2)N1CCOCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone?
The InChIKey is SKHMRFLPGBDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c17-15(16-6-8-18-9-7-16)11-19-14-5-4-12-2-1-3-13(12)10-14/h4-5,10H,1-3,6-9,11H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone has a molecular weight of 277.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 60652352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).