methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate

C11H21NO5S — CID 54951862

IUPACmethyl 4-(oxan-3-ylmethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C11H21NO5S/c1-16-11(13)5-3-7-18(14,15)12-8-10-4-2-6-17-9-10/h10,12H,2-9H2,1H3
InChIKeyYTJHBQMMMHRJQZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.29
Rot. Bonds7

About methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate

methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate (PubChem CID 54951862) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(oxan-3-ylmethylsulfamoyl)butanoate
PubChem CID54951862
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 4-(oxan-3-ylmethylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC1CCCOC1
InChIInChI=1S/C11H21NO5S/c1-16-11(13)5-3-7-18(14,15)12-8-10-4-2-6-17-9-10/h10,12H,2-9H2,1H3
InChIKeyYTJHBQMMMHRJQZ-UHFFFAOYSA-N
XLogP0.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate (CID 54951862) is methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NCC1CCCOC1.
What is the InChIKey of methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate?
The InChIKey is YTJHBQMMMHRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-16-11(13)5-3-7-18(14,15)12-8-10-4-2-6-17-9-10/h10,12H,2-9H2,1H3.
What are the key properties of methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate?
methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate has a molecular weight of 279.36 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxan-3-ylmethylsulfamoyl)butanoate is sourced from PubChem (CID 54951862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).