methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate

C10H16N2O4S — CID 54951569

IUPACmethyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H16N2O4S/c1-8(9(13)16-2)17(14,15)12-10(7-11)5-3-4-6-10/h8,12H,3-6H2,1-2H3
InChIKeyNPYPHCRCZVGVEN-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.30
Rot. Bonds4

About methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate

methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate (PubChem CID 54951569) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate
PubChem CID54951569
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H16N2O4S/c1-8(9(13)16-2)17(14,15)12-10(7-11)5-3-4-6-10/h8,12H,3-6H2,1-2H3
InChIKeyNPYPHCRCZVGVEN-UHFFFAOYSA-N
XLogP0.30
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate (CID 54951569) is methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The InChIKey is NPYPHCRCZVGVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-8(9(13)16-2)17(14,15)12-10(7-11)5-3-4-6-10/h8,12H,3-6H2,1-2H3.
What are the key properties of methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate has a molecular weight of 260.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).