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

C11H18N2O4S — CID 54951570

IUPACmethyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O4S/c1-9(10(14)17-2)18(15,16)13-11(8-12)6-4-3-5-7-11/h9,13H,3-7H2,1-2H3
InChIKeyKGCUQXDZGRQPLH-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.69
Rot. Bonds4

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

methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate (PubChem CID 54951570) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate
PubChem CID54951570
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O4S/c1-9(10(14)17-2)18(15,16)13-11(8-12)6-4-3-5-7-11/h9,13H,3-7H2,1-2H3
InChIKeyKGCUQXDZGRQPLH-UHFFFAOYSA-N
XLogP0.69
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
CID 54951271
Ethyl 3-(3-cyanopentan-3-ylsulfamoyl)propanoate
CID 54951320
Methyl 3-[(1-cyanocyclopentyl)sulfamoyl]propanoate
CID 54951359
Methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate
CID 54951360
Methyl 3-(3-cyanopentan-3-ylsulfamoyl)propanoate
CID 54951361
Methyl 2-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
CID 54951421
Methyl 2-[(1-cyanocyclopentyl)sulfamoyl]propanoate
CID 54951569
Methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate
CID 54951571
Methyl 3-[(1-aminocyclohexyl)methylsulfamoyl]propanoate
CID 54951767
Ethyl 2-[(1-cyanocyclopentyl)sulfamoyl]acetate
CID 54951952
Ethyl 2-[(1-cyanocyclohexyl)sulfamoyl]acetate
CID 54951953
Methyl 2-[(1-carbamothioylcyclohexyl)sulfamoyl]acetate
CID 54951999

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate (CID 54951570) is methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
The InChIKey is KGCUQXDZGRQPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-9(10(14)17-2)18(15,16)13-11(8-12)6-4-3-5-7-11/h9,13H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
methyl 2-[(1-cyanocyclohexyl)sulfamoyl]propanoate has a molecular weight of 274.34 g/mol, XLogP of 0.69, 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]propanoate is sourced from PubChem (CID 54951570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).