methyl 3-(tert-butylsulfamoyl)propanoate

C8H17NO4S — CID 64591196

IUPACmethyl 3-(tert-butylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-8(2,3)9-14(11,12)6-5-7(10)13-4/h9H,5-6H2,1-4H3
InChIKeyLIGSGLUPYMXLCW-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.27
Rot. Bonds4

About methyl 3-(tert-butylsulfamoyl)propanoate

methyl 3-(tert-butylsulfamoyl)propanoate (PubChem CID 64591196) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is methyl 3-(tert-butylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(tert-butylsulfamoyl)propanoate
PubChem CID64591196
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Namemethyl 3-(tert-butylsulfamoyl)propanoate
SMILESCOC(=O)CCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C8H17NO4S/c1-8(2,3)9-14(11,12)6-5-7(10)13-4/h9H,5-6H2,1-4H3
InChIKeyLIGSGLUPYMXLCW-UHFFFAOYSA-N
XLogP0.27
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(tert-butylsulfamoyl)propanoate?
The IUPAC name of methyl 3-(tert-butylsulfamoyl)propanoate (CID 64591196) is methyl 3-(tert-butylsulfamoyl)propanoate.
What is the SMILES notation for methyl 3-(tert-butylsulfamoyl)propanoate?
The canonical SMILES for methyl 3-(tert-butylsulfamoyl)propanoate is COC(=O)CCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of methyl 3-(tert-butylsulfamoyl)propanoate?
The InChIKey is LIGSGLUPYMXLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(2,3)9-14(11,12)6-5-7(10)13-4/h9H,5-6H2,1-4H3.
What are the key properties of methyl 3-(tert-butylsulfamoyl)propanoate?
methyl 3-(tert-butylsulfamoyl)propanoate has a molecular weight of 223.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(tert-butylsulfamoyl)propanoate is sourced from PubChem (CID 64591196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).