(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C15H21N3O4S — CID 9186449

IUPAC(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc21
InChIInChI=1S/C15H21N3O4S/c1-11-13-10-12(2-3-14(13)17-15(11)19)23(20,21)16-4-5-18-6-8-22-9-7-18/h2-3,10-11,16H,4-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyVIJJSJNHBBCIAX-LLVKDONJSA-N
MW339.42 g/mol
LogP0.35
Rot. Bonds5

About (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 9186449) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID9186449
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESC[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc21
InChIInChI=1S/C15H21N3O4S/c1-11-13-10-12(2-3-14(13)17-15(11)19)23(20,21)16-4-5-18-6-8-22-9-7-18/h2-3,10-11,16H,4-9H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyVIJJSJNHBBCIAX-LLVKDONJSA-N
XLogP0.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 9186449) is (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCCN3CCOCC3)cc21.
What is the InChIKey of (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is VIJJSJNHBBCIAX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11-13-10-12(2-3-14(13)17-15(11)19)23(20,21)16-4-5-18-6-8-22-9-7-18/h2-3,10-11,16H,4-9H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
(3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 9186449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).