1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione

C19H26N2O5S — CID 71583080

IUPAC1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
SMILESCCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COCC)ccc21
InChIInChI=1S/C19H26N2O5S/c1-3-5-10-20-17-9-8-15(12-16(17)18(22)19(20)23)27(24,25)21-11-6-7-14(21)13-26-4-2/h8-9,12,14H,3-7,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyLRIRHRYRLCJRQA-AWEZNQCLSA-N
MW394.49 g/mol
LogP2.21
Rot. Bonds8

About 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione

1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione (PubChem CID 71583080) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione.

Molecular Properties

Compound Name1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
PubChem CID71583080
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
SMILESCCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COCC)ccc21
InChIInChI=1S/C19H26N2O5S/c1-3-5-10-20-17-9-8-15(12-16(17)18(22)19(20)23)27(24,25)21-11-6-7-14(21)13-26-4-2/h8-9,12,14H,3-7,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyLRIRHRYRLCJRQA-AWEZNQCLSA-N
XLogP2.21
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-5-[2-(3-methoxypropyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 71582975
5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-1-(3-phenylpropyl)indole-2,3-dione
CID 22456680
1-[2-(4-iodophenyl)ethyl]-5-[(2S)-2-(trifluoromethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 11678833
1-ethyl-2-methylidene-5-[(2S)-2-[(1-(111C)methyltriazol-4-yl)methoxymethyl]pyrrolidin-1-yl]sulfonylindol-3-one
CID 58384195
1-(4-fluorobutyl)-5-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 71698800
1-methyl-5-[(2S)-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 11647018
1-[2-(4-hydroxy-3-(123I)iodophenyl)ethyl]-5-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 11635896
5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-1-[(4-phenylmethoxyphenyl)methyl]indole-2,3-dione
CID 68907020
1-benzyl-5-[(2S)-2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 11576540
1-benzyl-5-[2-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 68936208
3-[3-[2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]pyridine
CID 171910335
7-fluoro-1-(3-fluoropropyl)-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
CID 118723331

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione?
The IUPAC name of 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione (CID 71583080) is 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione.
What is the SMILES notation for 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione?
The canonical SMILES for 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione is CCCCN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COCC)ccc21.
What is the InChIKey of 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione?
The InChIKey is LRIRHRYRLCJRQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-3-5-10-20-17-9-8-15(12-16(17)18(22)19(20)23)27(24,25)21-11-6-7-14(21)13-26-4-2/h8-9,12,14H,3-7,10-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione?
1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione has a molecular weight of 394.49 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[(2S)-2-(ethoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione is sourced from PubChem (CID 71583080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).