ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate

C17H22N2O5S — CID 1510172

IUPACethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3)C
InChIInChI=1S/C17H22N2O5S/c1-3-24-17(21)12-6-8-19(9-7-12)25(22,23)14-4-5-15-13(10-14)11-16(20)18(15)2/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyGMBUIFUYPHBHDD-UHFFFAOYSA-N
MW366.40 g/mol
LogP0.80
Rot. Bonds5

About ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate

ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate (PubChem CID 1510172) has the molecular formula C17H22N2O5S and a molecular weight of 366.40 g/mol. Its IUPAC name is ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate
PubChem CID1510172
Molecular FormulaC17H22N2O5S
Molecular Weight366.40 g/mol
Exact Mass366.12
IUPAC Nameethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3)C
InChIInChI=1S/C17H22N2O5S/c1-3-24-17(21)12-6-8-19(9-7-12)25(22,23)14-4-5-15-13(10-14)11-16(20)18(15)2/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyGMBUIFUYPHBHDD-UHFFFAOYSA-N
XLogP0.80
TPSA92.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity621

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate 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

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
2-(1-Benzyl-5-morpholin-4-ylsulfonyl-2-oxoindol-3-ylidene)propanedinitrile
CID 42618281
1-Methyl-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4614896
Ethyl 1-((1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl)piperidine-4-carboxylate
CID 1192824
1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
1-Acetyl-5-(morpholin-4-ylsulfonyl)indoline
CID 866906
4-{5-[(4-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}-4-oxobutanoic acid
CID 3244810
Ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate
CID 15990562

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate (CID 1510172) is ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)C3)C.
What is the InChIKey of ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate?
The InChIKey is GMBUIFUYPHBHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-3-24-17(21)12-6-8-19(9-7-12)25(22,23)14-4-5-15-13(10-14)11-16(20)18(15)2/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate?
ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate has a molecular weight of 366.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate is sourced from PubChem (CID 1510172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).