methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate

C11H21NO4S — CID 103697727

IUPACmethyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)(C)C1CC1
InChIInChI=1S/C11H21NO4S/c1-11(2,9-6-7-9)12-17(14,15)8-4-5-10(13)16-3/h9,12H,4-8H2,1-3H3
InChIKeyPGFZRFKFDMQNMS-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.05
Rot. Bonds7

About methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate

methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate (PubChem CID 103697727) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate
PubChem CID103697727
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Namemethyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)(C)C1CC1
InChIInChI=1S/C11H21NO4S/c1-11(2,9-6-7-9)12-17(14,15)8-4-5-10(13)16-3/h9,12H,4-8H2,1-3H3
InChIKeyPGFZRFKFDMQNMS-UHFFFAOYSA-N
XLogP1.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate (CID 103697727) is methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NC(C)(C)C1CC1.
What is the InChIKey of methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate?
The InChIKey is PGFZRFKFDMQNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(2,9-6-7-9)12-17(14,15)8-4-5-10(13)16-3/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate?
methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate has a molecular weight of 263.36 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopropylpropan-2-ylsulfamoyl)butanoate is sourced from PubChem (CID 103697727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).