methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate

C16H21N3O6S — CID 95786442

IUPACmethyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COCCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H21N3O6S/c1-24-16(21)14-10-25-7-6-18(14)9-15(20)19-5-4-11-8-12(26(17,22)23)2-3-13(11)19/h2-3,8,14H,4-7,9-10H2,1H3,(H2,17,22,23)/t14-/m0/s1
InChIKeyHUHPYBNAWIGAOH-AWEZNQCLSA-N
MW383.43 g/mol
LogP-0.90
Rot. Bonds4

About methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate

methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate (PubChem CID 95786442) has the molecular formula C16H21N3O6S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate
PubChem CID95786442
Molecular FormulaC16H21N3O6S
Molecular Weight383.43 g/mol
Exact Mass383.12
IUPAC Namemethyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate
SMILESCOC(=O)[C@@H]1COCCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H21N3O6S/c1-24-16(21)14-10-25-7-6-18(14)9-15(20)19-5-4-11-8-12(26(17,22)23)2-3-13(11)19/h2-3,8,14H,4-7,9-10H2,1H3,(H2,17,22,23)/t14-/m0/s1
InChIKeyHUHPYBNAWIGAOH-AWEZNQCLSA-N
XLogP-0.90
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate with MolForge

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Related Compounds

1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107002948
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35171895
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55478576
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 16576239
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate?
The IUPAC name of methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate (CID 95786442) is methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate?
The canonical SMILES for methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate is COC(=O)[C@@H]1COCCN1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate?
The InChIKey is HUHPYBNAWIGAOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N3O6S/c1-24-16(21)14-10-25-7-6-18(14)9-15(20)19-5-4-11-8-12(26(17,22)23)2-3-13(11)19/h2-3,8,14H,4-7,9-10H2,1H3,(H2,17,22,23)/t14-/m0/s1.
What are the key properties of methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate?
methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate has a molecular weight of 383.43 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]morpholine-3-carboxylate is sourced from PubChem (CID 95786442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).