methyl 4-(oxolan-3-ylsulfamoyl)butanoate

C9H17NO5S — CID 80716402

IUPACmethyl 4-(oxolan-3-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCOC1
InChIInChI=1S/C9H17NO5S/c1-14-9(11)3-2-6-16(12,13)10-8-4-5-15-7-8/h8,10H,2-7H2,1H3
InChIKeyVEFLPGAKIDIFKO-UHFFFAOYSA-N
MW251.30 g/mol
LogP-0.35
Rot. Bonds6

About methyl 4-(oxolan-3-ylsulfamoyl)butanoate

methyl 4-(oxolan-3-ylsulfamoyl)butanoate (PubChem CID 80716402) has the molecular formula C9H17NO5S and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 4-(oxolan-3-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(oxolan-3-ylsulfamoyl)butanoate
PubChem CID80716402
Molecular FormulaC9H17NO5S
Molecular Weight251.30 g/mol
Exact Mass251.08
IUPAC Namemethyl 4-(oxolan-3-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCOC1
InChIInChI=1S/C9H17NO5S/c1-14-9(11)3-2-6-16(12,13)10-8-4-5-15-7-8/h8,10H,2-7H2,1H3
InChIKeyVEFLPGAKIDIFKO-UHFFFAOYSA-N
XLogP-0.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxolan-3-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(oxolan-3-ylsulfamoyl)butanoate (CID 80716402) is methyl 4-(oxolan-3-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(oxolan-3-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(oxolan-3-ylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NC1CCOC1.
What is the InChIKey of methyl 4-(oxolan-3-ylsulfamoyl)butanoate?
The InChIKey is VEFLPGAKIDIFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5S/c1-14-9(11)3-2-6-16(12,13)10-8-4-5-15-7-8/h8,10H,2-7H2,1H3.
What are the key properties of methyl 4-(oxolan-3-ylsulfamoyl)butanoate?
methyl 4-(oxolan-3-ylsulfamoyl)butanoate has a molecular weight of 251.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxolan-3-ylsulfamoyl)butanoate is sourced from PubChem (CID 80716402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).