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

C16H21NOS — CID 60652389

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)N1CCCCC1
InChIInChI=1S/C16H21NOS/c18-16(17-9-2-1-3-10-17)12-19-15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,1-6,9-10,12H2
InChIKeyKXJYCTMPNDJYAB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.28
Rot. Bonds3

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

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone (PubChem CID 60652389) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
PubChem CID60652389
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone
SMILESO=C(CSc1ccc2c(c1)CCC2)N1CCCCC1
InChIInChI=1S/C16H21NOS/c18-16(17-9-2-1-3-10-17)12-19-15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,1-6,9-10,12H2
InChIKeyKXJYCTMPNDJYAB-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-morpholin-4-ylethanone
CID 60652352
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-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32532401
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51184678
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]ethanone
CID 31794183
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-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 51269779
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260868
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 9380294
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-(2-pyridin-4-ylazepan-1-yl)ethanone
CID 55764471

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone (CID 60652389) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone is O=C(CSc1ccc2c(c1)CCC2)N1CCCCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone?
The InChIKey is KXJYCTMPNDJYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c18-16(17-9-2-1-3-10-17)12-19-15-8-7-13-5-4-6-14(13)11-15/h7-8,11H,1-6,9-10,12H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone has a molecular weight of 275.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 60652389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).