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

C14H16O3S — CID 64642187

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one
SMILESO=C1CCCC1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H16O3S/c15-13-5-2-6-14(13)18(16,17)12-8-7-10-3-1-4-11(10)9-12/h7-9,14H,1-6H2
InChIKeyBJMUGHSJVJWHPF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.07
Rot. Bonds2

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

2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one (PubChem CID 64642187) has the molecular formula C14H16O3S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one
PubChem CID64642187
Molecular FormulaC14H16O3S
Molecular Weight264.35 g/mol
Exact Mass264.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one
SMILESO=C1CCCC1S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H16O3S/c15-13-5-2-6-14(13)18(16,17)12-8-7-10-3-1-4-11(10)9-12/h7-9,14H,1-6H2
InChIKeyBJMUGHSJVJWHPF-UHFFFAOYSA-N
XLogP2.07
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclohexan-1-amine
CID 55115124
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylcyclopentan-1-amine
CID 64904903
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862911
5,6,7,8-tetrahydronaphthalene-2-sulfonyl fluoride
CID 82284501
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-one
CID 43084113
2-(2-methylphenyl)sulfonylcyclopentan-1-one
CID 64635795
3-chloro-8-(2,3-dihydro-1H-inden-5-ylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 63762795
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79370777
4-(bromomethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine
CID 80668443
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
(3R)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-3-amine
CID 115301718
(3S,4R)-3-pyrrolidin-1-yl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)thiolane 1,1-dioxide
CID 39774774

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one (CID 64642187) is 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one is O=C1CCCC1S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one?
The InChIKey is BJMUGHSJVJWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3S/c15-13-5-2-6-14(13)18(16,17)12-8-7-10-3-1-4-11(10)9-12/h7-9,14H,1-6H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one?
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)cyclopentan-1-one has a molecular weight of 264.35 g/mol, XLogP of 2.07, 2 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-ylsulfonyl)cyclopentan-1-one is sourced from PubChem (CID 64642187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).