5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione

C15H18N2O5S — CID 11515586

IUPAC5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione
SMILESCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeySMINLRKVPPXJGK-JTQLQIEISA-N
MW338.39 g/mol
LogP0.65
Rot. Bonds4

About 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione

5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione (PubChem CID 11515586) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione.

Molecular Properties

Compound Name5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione
PubChem CID11515586
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione
SMILESCOC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C
InChIInChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1
InChIKeySMINLRKVPPXJGK-JTQLQIEISA-N
XLogP0.65
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione with MolForge

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Related Compounds

Isatin Sulfonamide 26
CID 9800285
Mmpsi
CID 9840223
1H-Indole-2,3-dione, 5-(1-azetidinylsulfonyl)-
CID 9903426
N-(2-methoxyethyl)-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 10851609
Pyrimidoindolone, 25a
CID 11495091
Pyrimidoindolone, 25c
CID 11567908
Pyrimidoindolone, 25e
CID 11611743
8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,3-dimethyl-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one
CID 11661117
(S)-1-(4-iodobenzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11444079
Isatin sulfonamide, 16a
CID 42618287
5-(Pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 4117381
5-(piperidin-1-ylsulfonyl)-1H-indole-2,3-dione
CID 4117383

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione?
The IUPAC name of 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione (CID 11515586) is 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione.
What is the SMILES notation for 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione?
The canonical SMILES for 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione is COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C.
What is the InChIKey of 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione?
The InChIKey is SMINLRKVPPXJGK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-16-13-6-5-11(8-12(13)14(18)15(16)19)23(20,21)17-7-3-4-10(17)9-22-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione?
5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione has a molecular weight of 338.39 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-methylindole-2,3-dione is sourced from PubChem (CID 11515586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).