5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one

C14H18O3S — CID 64642185

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
SMILESCC(=O)CCCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O3S/c1-11(15)4-3-9-18(16,17)14-8-7-12-5-2-6-13(12)10-14/h7-8,10H,2-6,9H2,1H3
InChIKeyFXCOMIBSZLROIJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.32
Rot. Bonds5

About 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one

5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one (PubChem CID 64642185) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
PubChem CID64642185
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
SMILESCC(=O)CCCS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H18O3S/c1-11(15)4-3-9-18(16,17)14-8-7-12-5-2-6-13(12)10-14/h7-8,10H,2-6,9H2,1H3
InChIKeyFXCOMIBSZLROIJ-UHFFFAOYSA-N
XLogP2.32
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
5-(2,3-dihydro-1H-inden-5-yl)pentan-2-one
CID 64522132
5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
CID 62229484
5-(3-azidopropylsulfonyl)-2,3-dihydro-1H-indene
CID 61397011
5-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-one
CID 43793468
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
3-[3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoyl-methylamino]propanoic acid
CID 119233149
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[2-(methylamino)propyl]propanamide
CID 120826990
N-[(2S)-1-aminopropan-2-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 120507153

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one (CID 64642185) is 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one is CC(=O)CCCS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one?
The InChIKey is FXCOMIBSZLROIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-11(15)4-3-9-18(16,17)14-8-7-12-5-2-6-13(12)10-14/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one?
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one has a molecular weight of 266.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one is sourced from PubChem (CID 64642185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).