methyl 4-[diethylsulfamoyl(methyl)amino]butanoate

C10H22N2O4S — CID 54940539

IUPACmethyl 4-[diethylsulfamoyl(methyl)amino]butanoate
SMILESCCN(CC)S(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(14,15)11(3)9-7-8-10(13)16-4/h5-9H2,1-4H3
InChIKeyHQHSPDDRWUFTEU-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.46
Rot. Bonds8

About methyl 4-[diethylsulfamoyl(methyl)amino]butanoate

methyl 4-[diethylsulfamoyl(methyl)amino]butanoate (PubChem CID 54940539) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 4-[diethylsulfamoyl(methyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[diethylsulfamoyl(methyl)amino]butanoate
PubChem CID54940539
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-[diethylsulfamoyl(methyl)amino]butanoate
SMILESCCN(CC)S(=O)(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-5-12(6-2)17(14,15)11(3)9-7-8-10(13)16-4/h5-9H2,1-4H3
InChIKeyHQHSPDDRWUFTEU-UHFFFAOYSA-N
XLogP0.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[diethylsulfamoyl(methyl)amino]butanoate?
The IUPAC name of methyl 4-[diethylsulfamoyl(methyl)amino]butanoate (CID 54940539) is methyl 4-[diethylsulfamoyl(methyl)amino]butanoate.
What is the SMILES notation for methyl 4-[diethylsulfamoyl(methyl)amino]butanoate?
The canonical SMILES for methyl 4-[diethylsulfamoyl(methyl)amino]butanoate is CCN(CC)S(=O)(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[diethylsulfamoyl(methyl)amino]butanoate?
The InChIKey is HQHSPDDRWUFTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-5-12(6-2)17(14,15)11(3)9-7-8-10(13)16-4/h5-9H2,1-4H3.
What are the key properties of methyl 4-[diethylsulfamoyl(methyl)amino]butanoate?
methyl 4-[diethylsulfamoyl(methyl)amino]butanoate has a molecular weight of 266.36 g/mol, XLogP of 0.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[diethylsulfamoyl(methyl)amino]butanoate is sourced from PubChem (CID 54940539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).