methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate

C10H18N2O4S — CID 54951571

IUPACmethyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate
SMILESCCC(C#N)(CC)NS(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H18N2O4S/c1-5-10(6-2,7-11)12-17(14,15)8(3)9(13)16-4/h8,12H,5-6H2,1-4H3
InChIKeyJRAMEIXVAXWXQX-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.55
Rot. Bonds6

About methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate

methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate (PubChem CID 54951571) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate
PubChem CID54951571
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Namemethyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate
SMILESCCC(C#N)(CC)NS(=O)(=O)C(C)C(=O)OC
InChIInChI=1S/C10H18N2O4S/c1-5-10(6-2,7-11)12-17(14,15)8(3)9(13)16-4/h8,12H,5-6H2,1-4H3
InChIKeyJRAMEIXVAXWXQX-UHFFFAOYSA-N
XLogP0.55
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 54951271
CID 54951271
CID 54951319
CID 54951319
CID 54951320
CID 54951320
CID 54951359
CID 54951359
CID 54951360
CID 54951360
CID 54951361
CID 54951361
CID 54951569
CID 54951569
CID 54951570
CID 54951570
CID 54951952
CID 54951952
CID 54951954
CID 54951954
CID 54952369
CID 54952369
CID 54952370
CID 54952370

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate?
The IUPAC name of methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate (CID 54951571) is methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate.
What is the SMILES notation for methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate?
The canonical SMILES for methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate is CCC(C#N)(CC)NS(=O)(=O)C(C)C(=O)OC.
What is the InChIKey of methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate?
The InChIKey is JRAMEIXVAXWXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-5-10(6-2,7-11)12-17(14,15)8(3)9(13)16-4/h8,12H,5-6H2,1-4H3.
What are the key properties of methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate?
methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate has a molecular weight of 262.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyanopentan-3-ylsulfamoyl)propanoate is sourced from PubChem (CID 54951571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).