methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate

C13H20N2O6S — CID 71844309

IUPACmethyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H20N2O6S/c1-8(11(16)14-13(2,3)4)15-22(18,19)10-6-9(7-21-10)12(17)20-5/h6-8,15H,1-5H3,(H,14,16)
InChIKeyNNCZAJDJTPBAKQ-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.65
Rot. Bonds5

About methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate

methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate (PubChem CID 71844309) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate
PubChem CID71844309
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Namemethyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H20N2O6S/c1-8(11(16)14-13(2,3)4)15-22(18,19)10-6-9(7-21-10)12(17)20-5/h6-8,15H,1-5H3,(H,14,16)
InChIKeyNNCZAJDJTPBAKQ-UHFFFAOYSA-N
XLogP0.65
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate with MolForge

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Related Compounds

Methyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-3-carboxylate;hydrochloride
CID 120778455
Methyl 5-[(3,3,3-trifluoro-2-piperazin-1-ylpropyl)sulfamoyl]furan-3-carboxylate
CID 120778456
Ethyl 5-(methylsulfamoyl)furan-3-carboxylate
CID 162420969
4-formyl-N-propan-2-ylfuran-2-sulfonamide
CID 166761823
Methyl 5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]furan-3-carboxylate
CID 71910388
Methyl 5-[[1-(3-methylbutanoyl)piperidin-4-yl]sulfamoyl]furan-3-carboxylate
CID 71910390
5-(Cyclopropylsulfamoyl)furan-3-carboxylic acid
CID 84694362
5-(Propan-2-ylsulfamoyl)furan-3-carboxylic acid
CID 84696584
methyl 5-[[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate
CID 97063599
methyl 5-[[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate
CID 97063600
2-[(4-Methoxycarbonylfuran-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 120081918
2-[(4-Methoxycarbonylfuran-2-yl)sulfonylamino]propanoic acid
CID 120082161

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate (CID 71844309) is methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate is COC(=O)c1coc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate?
The InChIKey is NNCZAJDJTPBAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-8(11(16)14-13(2,3)4)15-22(18,19)10-6-9(7-21-10)12(17)20-5/h6-8,15H,1-5H3,(H,14,16).
What are the key properties of methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate?
methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(tert-butylamino)-1-oxopropan-2-yl]sulfamoyl]furan-3-carboxylate is sourced from PubChem (CID 71844309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).