3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one

C17H20N2O4S — CID 50760017

IUPAC3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C1=C1CCCC1
InChIInChI=1S/C17H20N2O4S/c20-17-16(12-3-1-2-4-12)14-11-13(5-6-15(14)18-17)24(21,22)19-7-9-23-10-8-19/h5-6,11H,1-4,7-10H2,(H,18,20)
InChIKeyJYMHCEOTEJSGJV-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.99
Rot. Bonds2

About 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one

3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one (PubChem CID 50760017) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
PubChem CID50760017
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C1=C1CCCC1
InChIInChI=1S/C17H20N2O4S/c20-17-16(12-3-1-2-4-12)14-11-13(5-6-15(14)18-17)24(21,22)19-7-9-23-10-8-19/h5-6,11H,1-4,7-10H2,(H,18,20)
InChIKeyJYMHCEOTEJSGJV-UHFFFAOYSA-N
XLogP1.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
CID 50760016
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
CID 50759969
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
CID 50760015
3-[(3-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 57291163
2,7-bis(1,4-oxazepan-4-ylsulfonyl)anthracene-9,10-dione
CID 46851999
N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 50760076
5-morpholin-4-ylsulfonyl-3-[(3-pentyl-4,5,6,7-tetrahydro-1-benzofuran-2-yl)methylidene]-1H-indol-2-one
CID 57139652
3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
CID 50759890
molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
CID 156842363
3-methyl-5-morpholin-4-ylsulfonyl-1,3-dihydroindol-2-one
CID 60664900
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443
3-cyclopentylidene-2-oxo-N-(3-phenylpropyl)-1H-indole-5-sulfonamide
CID 50759991

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one?
The IUPAC name of 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one (CID 50760017) is 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one.
What is the SMILES notation for 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one?
The canonical SMILES for 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one is O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)cc2C1=C1CCCC1.
What is the InChIKey of 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one?
The InChIKey is JYMHCEOTEJSGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c20-17-16(12-3-1-2-4-12)14-11-13(5-6-15(14)18-17)24(21,22)19-7-9-23-10-8-19/h5-6,11H,1-4,7-10H2,(H,18,20).
What are the key properties of 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one?
3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one has a molecular weight of 348.42 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one is sourced from PubChem (CID 50760017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).