7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C12H21N3O5S — CID 106340888

IUPAC7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C12H21N3O5S/c1-2-14-21(19,20)6-5-13-12(18)15-8-3-4-10(15)9(7-8)11(16)17/h8-10,14H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyPRSBWBHQOGXNQM-UHFFFAOYSA-N
MW319.38 g/mol
LogP-0.43
Rot. Bonds6

About 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 106340888) has the molecular formula C12H21N3O5S and a molecular weight of 319.38 g/mol. Its IUPAC name is 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID106340888
Molecular FormulaC12H21N3O5S
Molecular Weight319.38 g/mol
Exact Mass319.12
IUPAC Name7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)N1C2CCC1C(C(=O)O)C2
InChIInChI=1S/C12H21N3O5S/c1-2-14-21(19,20)6-5-13-12(18)15-8-3-4-10(15)9(7-8)11(16)17/h8-10,14H,2-7H2,1H3,(H,13,18)(H,16,17)
InChIKeyPRSBWBHQOGXNQM-UHFFFAOYSA-N
XLogP-0.43
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 106340888) is 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CCNS(=O)(=O)CCNC(=O)N1C2CCC1C(C(=O)O)C2.
What is the InChIKey of 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is PRSBWBHQOGXNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S/c1-2-14-21(19,20)6-5-13-12(18)15-8-3-4-10(15)9(7-8)11(16)17/h8-10,14H,2-7H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 319.38 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(ethylsulfamoyl)ethylcarbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 106340888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).