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

C10H16N2O4S — CID 61358180

IUPACmethyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C10H16N2O4S/c1-16-9(13)7-17(14,15)12-10(8-11)5-3-2-4-6-10/h12H,2-7H2,1H3
InChIKeyRPYWDEKKUZFYCJ-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.31
Rot. Bonds4

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

methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate (PubChem CID 61358180) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
PubChem CID61358180
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Namemethyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C10H16N2O4S/c1-16-9(13)7-17(14,15)12-10(8-11)5-3-2-4-6-10/h12H,2-7H2,1H3
InChIKeyRPYWDEKKUZFYCJ-UHFFFAOYSA-N
XLogP0.31
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 2-[(1-cyanocyclohexyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate (CID 61358180) is methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate?
The InChIKey is RPYWDEKKUZFYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-16-9(13)7-17(14,15)12-10(8-11)5-3-2-4-6-10/h12H,2-7H2,1H3.
What are the key properties of methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate?
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate has a molecular weight of 260.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate is sourced from PubChem (CID 61358180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).