methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate

C12H24N2O4S — CID 80708283

IUPACmethyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate
SMILESCCN(CC)S(=O)(=O)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C12H24N2O4S/c1-4-13(5-2)19(16,17)14(10-12(15)18-3)11-8-6-7-9-11/h11H,4-10H2,1-3H3
InChIKeyVFSBSWNLIKKMMO-UHFFFAOYSA-N
MW292.40 g/mol
LogP0.99
Rot. Bonds7

About methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate

methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate (PubChem CID 80708283) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate
PubChem CID80708283
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Namemethyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate
SMILESCCN(CC)S(=O)(=O)N(CC(=O)OC)C1CCCC1
InChIInChI=1S/C12H24N2O4S/c1-4-13(5-2)19(16,17)14(10-12(15)18-3)11-8-6-7-9-11/h11H,4-10H2,1-3H3
InChIKeyVFSBSWNLIKKMMO-UHFFFAOYSA-N
XLogP0.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate (CID 80708283) is methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate is CCN(CC)S(=O)(=O)N(CC(=O)OC)C1CCCC1.
What is the InChIKey of methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate?
The InChIKey is VFSBSWNLIKKMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-4-13(5-2)19(16,17)14(10-12(15)18-3)11-8-6-7-9-11/h11H,4-10H2,1-3H3.
What are the key properties of methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate?
methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate has a molecular weight of 292.40 g/mol, XLogP of 0.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl(diethylsulfamoyl)amino]acetate is sourced from PubChem (CID 80708283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).