ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate

C11H18N2O4S — CID 54951271

IUPACethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C11H18N2O4S/c1-2-17-10(14)5-8-18(15,16)13-11(9-12)6-3-4-7-11/h13H,2-8H2,1H3
InChIKeyLTKDSFREHMVMJQ-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.70
Rot. Bonds6

About ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate

ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate (PubChem CID 54951271) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
PubChem CID54951271
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Nameethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C11H18N2O4S/c1-2-17-10(14)5-8-18(15,16)13-11(9-12)6-3-4-7-11/h13H,2-8H2,1H3
InChIKeyLTKDSFREHMVMJQ-UHFFFAOYSA-N
XLogP0.70
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate (CID 54951271) is ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The InChIKey is LTKDSFREHMVMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-2-17-10(14)5-8-18(15,16)13-11(9-12)6-3-4-7-11/h13H,2-8H2,1H3.
What are the key properties of ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate has a molecular weight of 274.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).