ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate

C9H18N2O4S — CID 65189082

IUPACethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC(CN)C1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-15-9(12)6-16(13,14)11-8(5-10)7-3-4-7/h7-8,11H,2-6,10H2,1H3
InChIKeyOJGJHUSUHRVURG-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.79
Rot. Bonds7

About ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate

ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate (PubChem CID 65189082) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
PubChem CID65189082
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Nameethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC(CN)C1CC1
InChIInChI=1S/C9H18N2O4S/c1-2-15-9(12)6-16(13,14)11-8(5-10)7-3-4-7/h7-8,11H,2-6,10H2,1H3
InChIKeyOJGJHUSUHRVURG-UHFFFAOYSA-N
XLogP-0.79
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate (CID 65189082) is ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NC(CN)C1CC1.
What is the InChIKey of ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate?
The InChIKey is OJGJHUSUHRVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-2-15-9(12)6-16(13,14)11-8(5-10)7-3-4-7/h7-8,11H,2-6,10H2,1H3.
What are the key properties of ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate?
ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate has a molecular weight of 250.32 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-1-cyclopropylethyl)sulfamoyl]acetate is sourced from PubChem (CID 65189082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).