3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide

C11H24N2O3S — CID 58124318

IUPAC3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide
SMILESCC(C)C(C(=O)NCCS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-8(2)9(11(3,4)5)10(14)13-6-7-17(12,15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H2,12,15,16)
InChIKeyXHWXANKGXUFGHL-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.71
Rot. Bonds5

About 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide

3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide (PubChem CID 58124318) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide
PubChem CID58124318
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide
SMILESCC(C)C(C(=O)NCCS(N)(=O)=O)C(C)(C)C
InChIInChI=1S/C11H24N2O3S/c1-8(2)9(11(3,4)5)10(14)13-6-7-17(12,15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H2,12,15,16)
InChIKeyXHWXANKGXUFGHL-UHFFFAOYSA-N
XLogP0.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide?
The IUPAC name of 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide (CID 58124318) is 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide is CC(C)C(C(=O)NCCS(N)(=O)=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide?
The InChIKey is XHWXANKGXUFGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-8(2)9(11(3,4)5)10(14)13-6-7-17(12,15)16/h8-9H,6-7H2,1-5H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide?
3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide has a molecular weight of 264.39 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-yl-N-(2-sulfamoylethyl)butanamide is sourced from PubChem (CID 58124318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).