ethyl 2,2-dimethyl-5-sulfamoylpentanoate

C9H19NO4S — CID 10585962

IUPACethyl 2,2-dimethyl-5-sulfamoylpentanoate
SMILESCCOC(=O)C(C)(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-4-14-8(11)9(2,3)6-5-7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13)
InChIKeyXMMFNAZVLWTIRM-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.64
Rot. Bonds6

About ethyl 2,2-dimethyl-5-sulfamoylpentanoate

ethyl 2,2-dimethyl-5-sulfamoylpentanoate (PubChem CID 10585962) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl 2,2-dimethyl-5-sulfamoylpentanoate.

Molecular Properties

Compound Nameethyl 2,2-dimethyl-5-sulfamoylpentanoate
PubChem CID10585962
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Nameethyl 2,2-dimethyl-5-sulfamoylpentanoate
SMILESCCOC(=O)C(C)(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-4-14-8(11)9(2,3)6-5-7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13)
InChIKeyXMMFNAZVLWTIRM-UHFFFAOYSA-N
XLogP0.64
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-dimethyl-5-sulfamoylpentanoate?
The IUPAC name of ethyl 2,2-dimethyl-5-sulfamoylpentanoate (CID 10585962) is ethyl 2,2-dimethyl-5-sulfamoylpentanoate.
What is the SMILES notation for ethyl 2,2-dimethyl-5-sulfamoylpentanoate?
The canonical SMILES for ethyl 2,2-dimethyl-5-sulfamoylpentanoate is CCOC(=O)C(C)(C)CCCS(N)(=O)=O.
What is the InChIKey of ethyl 2,2-dimethyl-5-sulfamoylpentanoate?
The InChIKey is XMMFNAZVLWTIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-4-14-8(11)9(2,3)6-5-7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13).
What are the key properties of ethyl 2,2-dimethyl-5-sulfamoylpentanoate?
ethyl 2,2-dimethyl-5-sulfamoylpentanoate has a molecular weight of 237.32 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-dimethyl-5-sulfamoylpentanoate is sourced from PubChem (CID 10585962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).