methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate

C9H17NO5S — CID 102564053

IUPACmethyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO5S/c1-6(7(11)15-5)16(13,14)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)
InChIKeyUYCQNAHBDOQRFY-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.04
Rot. Bonds3

About methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate

methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate (PubChem CID 102564053) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate
PubChem CID102564053
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO5S/c1-6(7(11)15-5)16(13,14)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12)
InChIKeyUYCQNAHBDOQRFY-UHFFFAOYSA-N
XLogP0.04
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate (CID 102564053) is methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate is COC(=O)C(C)S(=O)(=O)NC(=O)C(C)(C)C.
What is the InChIKey of methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate?
The InChIKey is UYCQNAHBDOQRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-6(7(11)15-5)16(13,14)10-8(12)9(2,3)4/h6H,1-5H3,(H,10,12).
What are the key properties of methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate?
methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate has a molecular weight of 251.30 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylpropanoylsulfamoyl)propanoate is sourced from PubChem (CID 102564053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).