methyl 4-(tert-butylsulfamoyl)butanoate

C9H19NO4S — CID 61457680

IUPACmethyl 4-(tert-butylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-9(2,3)10-15(12,13)7-5-6-8(11)14-4/h10H,5-7H2,1-4H3
InChIKeyKUNLCWLDOVBNNR-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.66
Rot. Bonds5

About methyl 4-(tert-butylsulfamoyl)butanoate

methyl 4-(tert-butylsulfamoyl)butanoate (PubChem CID 61457680) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is methyl 4-(tert-butylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(tert-butylsulfamoyl)butanoate
PubChem CID61457680
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Namemethyl 4-(tert-butylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H19NO4S/c1-9(2,3)10-15(12,13)7-5-6-8(11)14-4/h10H,5-7H2,1-4H3
InChIKeyKUNLCWLDOVBNNR-UHFFFAOYSA-N
XLogP0.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(tert-butylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(tert-butylsulfamoyl)butanoate (CID 61457680) is methyl 4-(tert-butylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(tert-butylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(tert-butylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NC(C)(C)C.
What is the InChIKey of methyl 4-(tert-butylsulfamoyl)butanoate?
The InChIKey is KUNLCWLDOVBNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(2,3)10-15(12,13)7-5-6-8(11)14-4/h10H,5-7H2,1-4H3.
What are the key properties of methyl 4-(tert-butylsulfamoyl)butanoate?
methyl 4-(tert-butylsulfamoyl)butanoate has a molecular weight of 237.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(tert-butylsulfamoyl)butanoate is sourced from PubChem (CID 61457680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).