methyl 3,3-dimethyl-5-sulfamoylpentanoate

C8H17NO4S — CID 10704317

IUPACmethyl 3,3-dimethyl-5-sulfamoylpentanoate
SMILESCOC(=O)CC(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,6-7(10)13-3)4-5-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12)
InChIKeyKZRMVCLAVARYHQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.25
Rot. Bonds5

About methyl 3,3-dimethyl-5-sulfamoylpentanoate

methyl 3,3-dimethyl-5-sulfamoylpentanoate (PubChem CID 10704317) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is methyl 3,3-dimethyl-5-sulfamoylpentanoate.

Molecular Properties

Compound Namemethyl 3,3-dimethyl-5-sulfamoylpentanoate
PubChem CID10704317
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Namemethyl 3,3-dimethyl-5-sulfamoylpentanoate
SMILESCOC(=O)CC(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-8(2,6-7(10)13-3)4-5-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12)
InChIKeyKZRMVCLAVARYHQ-UHFFFAOYSA-N
XLogP0.25
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3,3-dimethyl-5-sulfamoylpentanoate?
The IUPAC name of methyl 3,3-dimethyl-5-sulfamoylpentanoate (CID 10704317) is methyl 3,3-dimethyl-5-sulfamoylpentanoate.
What is the SMILES notation for methyl 3,3-dimethyl-5-sulfamoylpentanoate?
The canonical SMILES for methyl 3,3-dimethyl-5-sulfamoylpentanoate is COC(=O)CC(C)(C)CCS(N)(=O)=O.
What is the InChIKey of methyl 3,3-dimethyl-5-sulfamoylpentanoate?
The InChIKey is KZRMVCLAVARYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-8(2,6-7(10)13-3)4-5-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12).
What are the key properties of methyl 3,3-dimethyl-5-sulfamoylpentanoate?
methyl 3,3-dimethyl-5-sulfamoylpentanoate has a molecular weight of 223.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3-dimethyl-5-sulfamoylpentanoate is sourced from PubChem (CID 10704317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).