3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one

C18H22N2O3S — CID 50760016

IUPAC3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=C1CCCC1
InChIInChI=1S/C18H22N2O3S/c21-18-17(13-6-2-3-7-13)15-12-14(8-9-16(15)19-18)24(22,23)20-10-4-1-5-11-20/h8-9,12H,1-7,10-11H2,(H,19,21)
InChIKeyDCNPIRHYLOETPY-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.14
Rot. Bonds2

About 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one

3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one (PubChem CID 50760016) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
PubChem CID50760016
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=C1CCCC1
InChIInChI=1S/C18H22N2O3S/c21-18-17(13-6-2-3-7-13)15-12-14(8-9-16(15)19-18)24(22,23)20-10-4-1-5-11-20/h8-9,12H,1-7,10-11H2,(H,19,21)
InChIKeyDCNPIRHYLOETPY-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentylidene-5-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 50760017
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
7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 18422443
N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 50760076
molecular hydrogen;5-piperazin-1-ylsulfonyl-1H-indole-2,3-dione
CID 156842363
2,7-bis(azepan-1-ylsulfonyl)fluoren-9-one
CID 981056
2-(azepan-1-ylsulfonyl)-7-piperidin-1-ylsulfonylfluoren-9-one
CID 2802043
3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
CID 50759890
7-piperidin-1-ylsulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20949437
7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-isoquinolin-1-one
CID 71875688
5-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-propan-2-ylidene-1H-indol-2-one
CID 46281865

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one?
The IUPAC name of 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one (CID 50760016) is 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one.
What is the SMILES notation for 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one?
The canonical SMILES for 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one is O=C1Nc2ccc(S(=O)(=O)N3CCCCC3)cc2C1=C1CCCC1.
What is the InChIKey of 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one?
The InChIKey is DCNPIRHYLOETPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c21-18-17(13-6-2-3-7-13)15-12-14(8-9-16(15)19-18)24(22,23)20-10-4-1-5-11-20/h8-9,12H,1-7,10-11H2,(H,19,21).
What are the key properties of 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one?
3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one has a molecular weight of 346.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-5-piperidin-1-ylsulfonyl-1H-indol-2-one is sourced from PubChem (CID 50760016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).