ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate

C10H16N2O4S — CID 62963269

IUPACethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H16N2O4S/c1-2-16-10(13)7-17(14,15)12-9-5-3-4-8(9)6-11/h8-9,12H,2-5,7H2,1H3
InChIKeySRMSKDCVMSACSS-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.16
Rot. Bonds5

About ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate

ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate (PubChem CID 62963269) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
PubChem CID62963269
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Nameethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CCCC1C#N
InChIInChI=1S/C10H16N2O4S/c1-2-16-10(13)7-17(14,15)12-9-5-3-4-8(9)6-11/h8-9,12H,2-5,7H2,1H3
InChIKeySRMSKDCVMSACSS-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]acetate
CID 104922331
2-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818002
ethyl 3-[(2-cyanocyclohexyl)amino]propanoate
CID 62742982
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
CID 63666238
methyl N-[(2-cyanocyclopentyl)sulfamoyl]carbamate
CID 114463415
ethyl 2-[(3-aminocyclobutyl)sulfamoyl]acetate
CID 61457539
4-[(2-ethoxy-2-oxoethyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 61457089
2-[(2-ethoxy-2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 114941959
1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829173
ethyl 2-(2-cyano-5-propylcyclohexyl)sulfonylacetate
CID 64690402
trans-ethyl (1R,2S)-2-cyanocyclohexane-1-carboxylate
CID 71407745
ethyl 2-[(3-hydroxycyclohexyl)methylsulfamoyl]acetate
CID 113318541

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate?
The IUPAC name of ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate (CID 62963269) is ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate.
What is the SMILES notation for ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate?
The canonical SMILES for ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate is CCOC(=O)CS(=O)(=O)NC1CCCC1C#N.
What is the InChIKey of ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate?
The InChIKey is SRMSKDCVMSACSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-2-16-10(13)7-17(14,15)12-9-5-3-4-8(9)6-11/h8-9,12H,2-5,7H2,1H3.
What are the key properties of ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate?
ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate has a molecular weight of 260.31 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyanocyclopentyl)sulfamoyl]acetate is sourced from PubChem (CID 62963269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).