methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate

C8H14BrNO4S — CID 80662739

IUPACmethyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H14BrNO4S/c1-14-8(11)5-15(12,13)10-7-4-2-3-6(7)9/h6-7,10H,2-5H2,1H3
InChIKeyIBIIPBHLZONSSZ-UHFFFAOYSA-N
MW300.17 g/mol
LogP0.39
Rot. Bonds4

About methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate

methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate (PubChem CID 80662739) has the molecular formula C8H14BrNO4S and a molecular weight of 300.17 g/mol. Its IUPAC name is methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate
PubChem CID80662739
Molecular FormulaC8H14BrNO4S
Molecular Weight300.17 g/mol
Exact Mass298.98
IUPAC Namemethyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H14BrNO4S/c1-14-8(11)5-15(12,13)10-7-4-2-3-6(7)9/h6-7,10H,2-5H2,1H3
InChIKeyIBIIPBHLZONSSZ-UHFFFAOYSA-N
XLogP0.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate (CID 80662739) is methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate?
The InChIKey is IBIIPBHLZONSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrNO4S/c1-14-8(11)5-15(12,13)10-7-4-2-3-6(7)9/h6-7,10H,2-5H2,1H3.
What are the key properties of methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate?
methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate has a molecular weight of 300.17 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromocyclopentyl)sulfamoyl]acetate is sourced from PubChem (CID 80662739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).