[3-methyl-2-(sulfamoylmethyl)butyl] acetate

C8H17NO4S — CID 10489281

IUPAC[3-methyl-2-(sulfamoylmethyl)butyl] acetate
SMILESCC(=O)OCC(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C8H17NO4S/c1-6(2)8(4-13-7(3)10)5-14(9,11)12/h6,8H,4-5H2,1-3H3,(H2,9,11,12)
InChIKeyAVOPCODQLDGWTN-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.11
Rot. Bonds5

About [3-methyl-2-(sulfamoylmethyl)butyl] acetate

[3-methyl-2-(sulfamoylmethyl)butyl] acetate (PubChem CID 10489281) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is [3-methyl-2-(sulfamoylmethyl)butyl] acetate.

Molecular Properties

Compound Name[3-methyl-2-(sulfamoylmethyl)butyl] acetate
PubChem CID10489281
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name[3-methyl-2-(sulfamoylmethyl)butyl] acetate
SMILESCC(=O)OCC(CS(N)(=O)=O)C(C)C
InChIInChI=1S/C8H17NO4S/c1-6(2)8(4-13-7(3)10)5-14(9,11)12/h6,8H,4-5H2,1-3H3,(H2,9,11,12)
InChIKeyAVOPCODQLDGWTN-UHFFFAOYSA-N
XLogP0.11
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 ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(sulfamoylmethyl)butyl] acetate?
The IUPAC name of [3-methyl-2-(sulfamoylmethyl)butyl] acetate (CID 10489281) is [3-methyl-2-(sulfamoylmethyl)butyl] acetate.
What is the SMILES notation for [3-methyl-2-(sulfamoylmethyl)butyl] acetate?
The canonical SMILES for [3-methyl-2-(sulfamoylmethyl)butyl] acetate is CC(=O)OCC(CS(N)(=O)=O)C(C)C.
What is the InChIKey of [3-methyl-2-(sulfamoylmethyl)butyl] acetate?
The InChIKey is AVOPCODQLDGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-6(2)8(4-13-7(3)10)5-14(9,11)12/h6,8H,4-5H2,1-3H3,(H2,9,11,12).
What are the key properties of [3-methyl-2-(sulfamoylmethyl)butyl] acetate?
[3-methyl-2-(sulfamoylmethyl)butyl] acetate has a molecular weight of 223.29 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(sulfamoylmethyl)butyl] acetate is sourced from PubChem (CID 10489281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).