2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C12H23N3O5S — CID 106341128

IUPAC2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H23N3O5S/c1-3-14-21(19,20)8-7-13-11(18)15-9-5-4-6-12(9,2)10(16)17/h9,14H,3-8H2,1-2H3,(H,16,17)(H2,13,15,18)
InChIKeyZFROUGXQGIKXLS-UHFFFAOYSA-N
MW321.40 g/mol
LogP-0.13
Rot. Bonds7

About 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 106341128) has the molecular formula C12H23N3O5S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID106341128
Molecular FormulaC12H23N3O5S
Molecular Weight321.40 g/mol
Exact Mass321.14
IUPAC Name2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCNS(=O)(=O)CCNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H23N3O5S/c1-3-14-21(19,20)8-7-13-11(18)15-9-5-4-6-12(9,2)10(16)17/h9,14H,3-8H2,1-2H3,(H,16,17)(H2,13,15,18)
InChIKeyZFROUGXQGIKXLS-UHFFFAOYSA-N
XLogP-0.13
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
2-[(3-amino-3-oxopropyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762583
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
1-methyl-2-(pent-4-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106222835
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106191575
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 82765524
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763720
2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 102699709
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763712

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 106341128) is 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CCNS(=O)(=O)CCNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is ZFROUGXQGIKXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O5S/c1-3-14-21(19,20)8-7-13-11(18)15-9-5-4-6-12(9,2)10(16)17/h9,14H,3-8H2,1-2H3,(H,16,17)(H2,13,15,18).
What are the key properties of 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 321.40 g/mol, XLogP of -0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106341128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).