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

C9H14N2O4S — CID 55137144

IUPACmethyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H14N2O4S/c1-15-8(12)6-16(13,14)11-9(7-10)4-2-3-5-9/h11H,2-6H2,1H3
InChIKeyQHCVPMGMROQULB-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.08
Rot. Bonds4

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

methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate (PubChem CID 55137144) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate
PubChem CID55137144
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Namemethyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1(C#N)CCCC1
InChIInChI=1S/C9H14N2O4S/c1-15-8(12)6-16(13,14)11-9(7-10)4-2-3-5-9/h11H,2-6H2,1H3
InChIKeyQHCVPMGMROQULB-UHFFFAOYSA-N
XLogP-0.08
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.08
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]acetate?
The IUPAC name of methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate (CID 55137144) is methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)NC1(C#N)CCCC1.
What is the InChIKey of methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate?
The InChIKey is QHCVPMGMROQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-15-8(12)6-16(13,14)11-9(7-10)4-2-3-5-9/h11H,2-6H2,1H3.
What are the key properties of methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate?
methyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate has a molecular weight of 246.29 g/mol, XLogP of -0.08, 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]acetate is sourced from PubChem (CID 55137144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).