N-(2,2-dimethylpropyl)oxane-4-sulfonamide

C10H21NO3S — CID 170416497

IUPACN-(2,2-dimethylpropyl)oxane-4-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)8-11-15(12,13)9-4-6-14-7-5-9/h9,11H,4-8H2,1-3H3
InChIKeyOMDFELKRHNAWCV-UHFFFAOYSA-N
MW235.35 g/mol
LogP1.13
Rot. Bonds3

About N-(2,2-dimethylpropyl)oxane-4-sulfonamide

N-(2,2-dimethylpropyl)oxane-4-sulfonamide (PubChem CID 170416497) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)oxane-4-sulfonamide
PubChem CID170416497
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-(2,2-dimethylpropyl)oxane-4-sulfonamide
SMILESCC(C)(C)CNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H21NO3S/c1-10(2,3)8-11-15(12,13)9-4-6-14-7-5-9/h9,11H,4-8H2,1-3H3
InChIKeyOMDFELKRHNAWCV-UHFFFAOYSA-N
XLogP1.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)oxane-4-sulfonamide?
The IUPAC name of N-(2,2-dimethylpropyl)oxane-4-sulfonamide (CID 170416497) is N-(2,2-dimethylpropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2,2-dimethylpropyl)oxane-4-sulfonamide is CC(C)(C)CNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2,2-dimethylpropyl)oxane-4-sulfonamide?
The InChIKey is OMDFELKRHNAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-10(2,3)8-11-15(12,13)9-4-6-14-7-5-9/h9,11H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)oxane-4-sulfonamide?
N-(2,2-dimethylpropyl)oxane-4-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)oxane-4-sulfonamide is sourced from PubChem (CID 170416497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).