methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate

C11H18N2O4S — CID 54951360

IUPACmethyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O4S/c1-17-10(14)5-8-18(15,16)13-11(9-12)6-3-2-4-7-11/h13H,2-8H2,1H3
InChIKeyDHUOWNWLRSFWBS-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.70
Rot. Bonds5

About methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate

methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate (PubChem CID 54951360) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate
PubChem CID54951360
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate
SMILESCOC(=O)CCS(=O)(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O4S/c1-17-10(14)5-8-18(15,16)13-11(9-12)6-3-2-4-7-11/h13H,2-8H2,1H3
InChIKeyDHUOWNWLRSFWBS-UHFFFAOYSA-N
XLogP0.70
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
The IUPAC name of methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate (CID 54951360) is methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
The canonical SMILES for methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate is COC(=O)CCS(=O)(=O)NC1(C#N)CCCCC1.
What is the InChIKey of methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
The InChIKey is DHUOWNWLRSFWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-17-10(14)5-8-18(15,16)13-11(9-12)6-3-2-4-7-11/h13H,2-8H2,1H3.
What are the key properties of methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate?
methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate has a molecular weight of 274.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-cyanocyclohexyl)sulfamoyl]propanoate is sourced from PubChem (CID 54951360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).