[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

C15H20N2O6S — CID 7976905

IUPAC[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESC[C@H](OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(N)=O
InChIInChI=1S/C15H20N2O6S/c1-10(14(16)18)23-15(19)11-4-2-6-13(8-11)24(20,21)17-9-12-5-3-7-22-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3,(H2,16,18)/t10-,12+/m0/s1
InChIKeyOKNIBZMVURITOL-CMPLNLGQSA-N
MW356.40 g/mol
LogP0.17
Rot. Bonds7

About [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate

[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (PubChem CID 7976905) has the molecular formula C15H20N2O6S and a molecular weight of 356.40 g/mol. Its IUPAC name is [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
PubChem CID7976905
Molecular FormulaC15H20N2O6S
Molecular Weight356.40 g/mol
Exact Mass356.10
IUPAC Name[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
SMILESC[C@H](OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(N)=O
InChIInChI=1S/C15H20N2O6S/c1-10(14(16)18)23-15(19)11-4-2-6-13(8-11)24(20,21)17-9-12-5-3-7-22-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3,(H2,16,18)/t10-,12+/m0/s1
InChIKeyOKNIBZMVURITOL-CMPLNLGQSA-N
XLogP0.17
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate with MolForge

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Related Compounds

[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976917
(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976955
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
[2-(cyclopentylamino)-2-oxoethyl] 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976970
3-oxobutan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988391
N-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55586374
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The IUPAC name of [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate (CID 7976905) is [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate.
What is the SMILES notation for [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The canonical SMILES for [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is C[C@H](OC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(N)=O.
What is the InChIKey of [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
The InChIKey is OKNIBZMVURITOL-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H20N2O6S/c1-10(14(16)18)23-15(19)11-4-2-6-13(8-11)24(20,21)17-9-12-5-3-7-22-12/h2,4,6,8,10,12,17H,3,5,7,9H2,1H3,(H2,16,18)/t10-,12+/m0/s1.
What are the key properties of [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate?
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate has a molecular weight of 356.40 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate is sourced from PubChem (CID 7976905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).