methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate

C11H18N2O4S — CID 54952369

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

About methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate

methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate (PubChem CID 54952369) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate
PubChem CID54952369
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C11H18N2O4S/c1-17-10(14)5-4-8-18(15,16)13-11(9-12)6-2-3-7-11/h13H,2-8H2,1H3
InChIKeyLGODXGOHDMPALY-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 methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate (CID 54952369) is methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate?
The InChIKey is LGODXGOHDMPALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-17-10(14)5-4-8-18(15,16)13-11(9-12)6-2-3-7-11/h13H,2-8H2,1H3.
What are the key properties of methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate?
methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate 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 methyl 4-[(1-cyanocyclopentyl)sulfamoyl]butanoate is sourced from PubChem (CID 54952369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).