3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one

C19H24N2O3S — CID 50759969

IUPAC3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)CC1
InChIInChI=1S/C19H24N2O3S/c1-13-8-10-21(11-9-13)25(23,24)15-6-7-17-16(12-15)18(19(22)20-17)14-4-2-3-5-14/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyPNBZSYUVAJLNHF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.39
Rot. Bonds2

About 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one

3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one (PubChem CID 50759969) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
PubChem CID50759969
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)CC1
InChIInChI=1S/C19H24N2O3S/c1-13-8-10-21(11-9-13)25(23,24)15-6-7-17-16(12-15)18(19(22)20-17)14-4-2-3-5-14/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,22)
InChIKeyPNBZSYUVAJLNHF-UHFFFAOYSA-N
XLogP3.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-morpholin-4-ylsulfonyl-1H-indol-2-one
CID 50760017
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-3-cyclopentylidene-1H-indol-2-one
CID 50760015
N-cyclohexyl-3-cyclopentylidene-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 50760076
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
2,7-bis[(4-methylpiperidin-1-yl)sulfonyl]anthracene-9,10-dione
CID 25123757
5-(4-cyclohexylpiperazin-1-yl)sulfonyl-3-propan-2-ylidene-1H-indol-2-one
CID 46281865
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]imino-1H-indol-2-one
CID 135456508
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
3-cyclopentylidene-N-[(4-fluorophenyl)methyl]-2-oxo-1H-indole-5-sulfonamide
CID 50759890
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
The IUPAC name of 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one (CID 50759969) is 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one.
What is the SMILES notation for 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
The canonical SMILES for 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one is CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)CC1.
What is the InChIKey of 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
The InChIKey is PNBZSYUVAJLNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-8-10-21(11-9-13)25(23,24)15-6-7-17-16(12-15)18(19(22)20-17)14-4-2-3-5-14/h6-7,12-13H,2-5,8-11H2,1H3,(H,20,22).
What are the key properties of 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one?
3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one has a molecular weight of 360.48 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylidene-5-(4-methylpiperidin-1-yl)sulfonyl-1H-indol-2-one is sourced from PubChem (CID 50759969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).