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

C10H16N2O4S — CID 54951359

IUPACmethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H16N2O4S/c1-16-9(13)4-7-17(14,15)12-10(8-11)5-2-3-6-10/h12H,2-7H2,1H3
InChIKeyDCOSTFBLVCKACG-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.31
Rot. Bonds5

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

methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate (PubChem CID 54951359) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
PubChem CID54951359
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C10H16N2O4S/c1-16-9(13)4-7-17(14,15)12-10(8-11)5-2-3-6-10/h12H,2-7H2,1H3
InChIKeyDCOSTFBLVCKACG-UHFFFAOYSA-N
XLogP0.31
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate (CID 54951359) is methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
The InChIKey is DCOSTFBLVCKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-16-9(13)4-7-17(14,15)12-10(8-11)5-2-3-6-10/h12H,2-7H2,1H3.
What are the key properties of methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate?
methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate has a molecular weight of 260.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).