2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one

C18H20N2O4S — CID 127804839

IUPAC2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one
SMILESO=C1CCCC1C1COCCN1S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C18H20N2O4S/c21-17-5-2-4-15(17)16-12-24-10-9-20(16)25(22,23)18-6-1-3-13-11-19-8-7-14(13)18/h1,3,6-8,11,15-16H,2,4-5,9-10,12H2
InChIKeyORBXNXJUSGOGNU-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one

2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one (PubChem CID 127804839) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one
PubChem CID127804839
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one
SMILESO=C1CCCC1C1COCCN1S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C18H20N2O4S/c21-17-5-2-4-15(17)16-12-24-10-9-20(16)25(22,23)18-6-1-3-13-11-19-8-7-14(13)18/h1,3,6-8,11,15-16H,2,4-5,9-10,12H2
InChIKeyORBXNXJUSGOGNU-UHFFFAOYSA-N
XLogP1.99
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-isoquinolin-5-ylsulfonylpiperidine-2-carbaldehyde
CID 63844332
5-[2-(bromomethyl)piperidin-1-yl]sulfonylisoquinoline
CID 80668661
5-[4-(chloromethyl)piperidin-1-yl]sulfonylisoquinoline
CID 63400965
5-(3-bromopiperidin-1-yl)sulfonylisoquinoline
CID 80676002
1-isoquinolin-5-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 119971621
1-(1-isoquinolin-5-ylsulfonylpiperidin-2-yl)ethanamine;hydrochloride
CID 119965289
2-tert-butyl-7-isoquinolin-5-ylsulfonyl-2,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepine-1-carboxylic acid
CID 126511204
5-[(4-hydroxy-1,4-diazepan-1-yl)sulfonyl]isoquinoline
CID 57333975
2-[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]cyclopentan-1-one
CID 79539689
5-(3,6-diazabicyclo[3.2.0]heptan-3-ylsulfonyl)isoquinoline
CID 126511189
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179
1-isoquinolin-5-ylsulfonyl-N-methoxy-N-methylpiperidin-4-amine
CID 154782948

Frequently Asked Questions

What is the IUPAC name of 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one?
The IUPAC name of 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one (CID 127804839) is 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one?
The canonical SMILES for 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one is O=C1CCCC1C1COCCN1S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one?
The InChIKey is ORBXNXJUSGOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-17-5-2-4-15(17)16-12-24-10-9-20(16)25(22,23)18-6-1-3-13-11-19-8-7-14(13)18/h1,3,6-8,11,15-16H,2,4-5,9-10,12H2.
What are the key properties of 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one?
2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one has a molecular weight of 360.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-isoquinolin-5-ylsulfonylmorpholin-3-yl)cyclopentan-1-one is sourced from PubChem (CID 127804839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).