3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide

C11H24N2O3S — CID 79927028

IUPAC3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide
SMILESCC1(C)CC(NCCCS(N)(=O)=O)C(C)(C)O1
InChIInChI=1S/C11H24N2O3S/c1-10(2)8-9(11(3,4)16-10)13-6-5-7-17(12,14)15/h9,13H,5-8H2,1-4H3,(H2,12,14,15)
InChIKeyFLYLJXWQFNJUGQ-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.60
Rot. Bonds5

About 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide

3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide (PubChem CID 79927028) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide
PubChem CID79927028
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide
SMILESCC1(C)CC(NCCCS(N)(=O)=O)C(C)(C)O1
InChIInChI=1S/C11H24N2O3S/c1-10(2)8-9(11(3,4)16-10)13-6-5-7-17(12,14)15/h9,13H,5-8H2,1-4H3,(H2,12,14,15)
InChIKeyFLYLJXWQFNJUGQ-UHFFFAOYSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide (CID 79927028) is 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide is CC1(C)CC(NCCCS(N)(=O)=O)C(C)(C)O1.
What is the InChIKey of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide?
The InChIKey is FLYLJXWQFNJUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-10(2)8-9(11(3,4)16-10)13-6-5-7-17(12,14)15/h9,13H,5-8H2,1-4H3,(H2,12,14,15).
What are the key properties of 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide?
3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 79927028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).