3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C11H20N2O5S — CID 114174958

IUPAC3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H20N2O5S/c1-4-13-19(17,18)6-5-12-9(14)7-8(10(15)16)11(7,2)3/h7-8,13H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyYKRRXPXGKJQIGD-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.60
Rot. Bonds7

About 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 114174958) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID114174958
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C11H20N2O5S/c1-4-13-19(17,18)6-5-12-9(14)7-8(10(15)16)11(7,2)3/h7-8,13H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyYKRRXPXGKJQIGD-UHFFFAOYSA-N
XLogP-0.60
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106334718
3-[2-(methanesulfonamido)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836137
4-[2-(ethylsulfamoyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106341830
3-(3-aminopropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836170
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834806
2,2-dimethyl-3-[2-(4-methylcyclohexyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64836970
N-[2-(ethylsulfamoyl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 106337013
3-(hex-5-ynylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106208698
N-[2-(ethylsulfamoyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 103822199
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
trans-(1S,3S)-2,2-dimethyl-3-[2-(4-sulfamoylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 95390266

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 114174958) is 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CCNS(=O)(=O)CCNC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is YKRRXPXGKJQIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-4-13-19(17,18)6-5-12-9(14)7-8(10(15)16)11(7,2)3/h7-8,13H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylsulfamoyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 114174958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).