ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate

C10H20N2O4S — CID 114383098

IUPACethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H20N2O4S/c1-4-16-10(13)7-12(8(2)3)17(14,15)11-9-5-6-9/h8-9,11H,4-7H2,1-3H3
InChIKeyGSQVUAZSSIKRHG-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.26
Rot. Bonds7

About ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate

ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate (PubChem CID 114383098) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate
PubChem CID114383098
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)S(=O)(=O)NC1CC1
InChIInChI=1S/C10H20N2O4S/c1-4-16-10(13)7-12(8(2)3)17(14,15)11-9-5-6-9/h8-9,11H,4-7H2,1-3H3
InChIKeyGSQVUAZSSIKRHG-UHFFFAOYSA-N
XLogP0.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate (CID 114383098) is ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(C)C)S(=O)(=O)NC1CC1.
What is the InChIKey of ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate?
The InChIKey is GSQVUAZSSIKRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-4-16-10(13)7-12(8(2)3)17(14,15)11-9-5-6-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate?
ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate has a molecular weight of 264.35 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropylsulfamoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 114383098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).