methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate

C12H17NO6S — CID 129359128

IUPACmethyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate
SMILESCOC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1occc1C
InChIInChI=1S/C12H17NO6S/c1-7-5-6-19-10(7)11(14)13-20(16,17)9(3)8(2)12(15)18-4/h5-6,8-9H,1-4H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyIFUXOFCXTGLFFK-DTWKUNHWSA-N
MW303.34 g/mol
LogP0.85
Rot. Bonds5

About methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate

methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate (PubChem CID 129359128) has the molecular formula C12H17NO6S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate
PubChem CID129359128
Molecular FormulaC12H17NO6S
Molecular Weight303.34 g/mol
Exact Mass303.08
IUPAC Namemethyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate
SMILESCOC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1occc1C
InChIInChI=1S/C12H17NO6S/c1-7-5-6-19-10(7)11(14)13-20(16,17)9(3)8(2)12(15)18-4/h5-6,8-9H,1-4H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyIFUXOFCXTGLFFK-DTWKUNHWSA-N
XLogP0.85
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,3S)-3-[(2-chlorofuran-3-carbonyl)sulfamoyl]-2-methylbutanoate
CID 100752220
methyl (2R,3R)-3-[(4-chloro-2-methylbenzoyl)sulfamoyl]-2-methylbutanoate
CID 124849645
N-(tert-butylsulfamoyl)-3-methylfuran-2-carboxamide
CID 138018726
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
CID 56814792
methyl (2R,3R)-2-methyl-3-[[(2R)-2-phenylpropanoyl]sulfamoyl]butanoate
CID 100752212
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide
CID 120501390
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 79252738
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide
CID 61121242
3-methoxy-4-[(3-methylfuran-2-carbonyl)amino]butanoic acid
CID 103152988
methyl 2-methyl-3-[methyl-(3-methylfuran-2-carbonyl)amino]propanoate
CID 55008207
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate?
The IUPAC name of methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate (CID 129359128) is methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate?
The canonical SMILES for methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate is COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)NC(=O)c1occc1C.
What is the InChIKey of methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate?
The InChIKey is IFUXOFCXTGLFFK-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H17NO6S/c1-7-5-6-19-10(7)11(14)13-20(16,17)9(3)8(2)12(15)18-4/h5-6,8-9H,1-4H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate?
methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate has a molecular weight of 303.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-methyl-3-[(3-methylfuran-2-carbonyl)sulfamoyl]butanoate is sourced from PubChem (CID 129359128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).