3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide

C15H19N3O6S — CID 110347824

IUPAC3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O6S/c1-10(14(19)18-5-7-23-8-6-18)16-25(21,22)11-3-4-12-13(9-11)24-15(20)17(12)2/h3-4,9-10,16H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyDXHUMYNHTFGLDH-JTQLQIEISA-N
MW369.40 g/mol
LogP-0.34
Rot. Bonds4

About 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide

3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 110347824) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID110347824
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Name3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCOCC1
InChIInChI=1S/C15H19N3O6S/c1-10(14(19)18-5-7-23-8-6-18)16-25(21,22)11-3-4-12-13(9-11)24-15(20)17(12)2/h3-4,9-10,16H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyDXHUMYNHTFGLDH-JTQLQIEISA-N
XLogP-0.34
TPSA110.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide with MolForge

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Related Compounds

3-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 110347522
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
3-methyl-N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20873658
N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20864208
2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide
CID 30713545
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175
N-[(2R)-1-(4-benzylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 92665417
4-ethoxy-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzenesulfonamide
CID 110347837
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-[1-(4-benzylpiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20969431
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 119983081

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 110347824) is 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide is C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is DXHUMYNHTFGLDH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-10(14(19)18-5-7-23-8-6-18)16-25(21,22)11-3-4-12-13(9-11)24-15(20)17(12)2/h3-4,9-10,16H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide?
3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 369.40 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110347824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).