methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate

C10H22N2O4S — CID 54942110

IUPACmethyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate
SMILESCCN(CC)S(=O)(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-6-12(7-2)17(14,15)11(4)8-9(3)10(13)16-5/h9H,6-8H2,1-5H3
InChIKeyDDSIWNGOVUWYOB-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.31
Rot. Bonds7

About methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate

methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate (PubChem CID 54942110) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate
PubChem CID54942110
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Namemethyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate
SMILESCCN(CC)S(=O)(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C10H22N2O4S/c1-6-12(7-2)17(14,15)11(4)8-9(3)10(13)16-5/h9H,6-8H2,1-5H3
InChIKeyDDSIWNGOVUWYOB-UHFFFAOYSA-N
XLogP0.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate (CID 54942110) is methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate is CCN(CC)S(=O)(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate?
The InChIKey is DDSIWNGOVUWYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-6-12(7-2)17(14,15)11(4)8-9(3)10(13)16-5/h9H,6-8H2,1-5H3.
What are the key properties of methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate?
methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate has a molecular weight of 266.36 g/mol, XLogP of 0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[diethylsulfamoyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 54942110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).