methyl 4,4-dimethyl-6-sulfamoylhexanoate

C9H19NO4S — CID 10681366

IUPACmethyl 4,4-dimethyl-6-sulfamoylhexanoate
SMILESCOC(=O)CCC(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,5-4-8(11)14-3)6-7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13)
InChIKeyPANOIGLFBJVSMZ-UHFFFAOYSA-N
MW237.32 g/mol
LogP0.64
Rot. Bonds6

About methyl 4,4-dimethyl-6-sulfamoylhexanoate

methyl 4,4-dimethyl-6-sulfamoylhexanoate (PubChem CID 10681366) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is methyl 4,4-dimethyl-6-sulfamoylhexanoate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-6-sulfamoylhexanoate
PubChem CID10681366
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Namemethyl 4,4-dimethyl-6-sulfamoylhexanoate
SMILESCOC(=O)CCC(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C9H19NO4S/c1-9(2,5-4-8(11)14-3)6-7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13)
InChIKeyPANOIGLFBJVSMZ-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 methyl 4,4-dimethyl-6-sulfamoylhexanoate?
The IUPAC name of methyl 4,4-dimethyl-6-sulfamoylhexanoate (CID 10681366) is methyl 4,4-dimethyl-6-sulfamoylhexanoate.
What is the SMILES notation for methyl 4,4-dimethyl-6-sulfamoylhexanoate?
The canonical SMILES for methyl 4,4-dimethyl-6-sulfamoylhexanoate is COC(=O)CCC(C)(C)CCS(N)(=O)=O.
What is the InChIKey of methyl 4,4-dimethyl-6-sulfamoylhexanoate?
The InChIKey is PANOIGLFBJVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-9(2,5-4-8(11)14-3)6-7-15(10,12)13/h4-7H2,1-3H3,(H2,10,12,13).
What are the key properties of methyl 4,4-dimethyl-6-sulfamoylhexanoate?
methyl 4,4-dimethyl-6-sulfamoylhexanoate 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 methyl 4,4-dimethyl-6-sulfamoylhexanoate is sourced from PubChem (CID 10681366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).