3,3-dimethylbutane-1-sulfonamide

C6H15NO2S — CID 51892333

IUPAC3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H2,7,8,9)
InChIKeyAFODNAMKZDWBCK-UHFFFAOYSA-N
MW165.26 g/mol
LogP0.71
Rot. Bonds2

About 3,3-dimethylbutane-1-sulfonamide

3,3-dimethylbutane-1-sulfonamide (PubChem CID 51892333) has the molecular formula C6H15NO2S and a molecular weight of 165.26 g/mol. Its IUPAC name is 3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name3,3-dimethylbutane-1-sulfonamide
PubChem CID51892333
Molecular FormulaC6H15NO2S
Molecular Weight165.26 g/mol
Exact Mass165.08
IUPAC Name3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)(C)CCS(N)(=O)=O
InChIInChI=1S/C6H15NO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H2,7,8,9)
InChIKeyAFODNAMKZDWBCK-UHFFFAOYSA-N
XLogP0.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of 3,3-dimethylbutane-1-sulfonamide (CID 51892333) is 3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for 3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for 3,3-dimethylbutane-1-sulfonamide is CC(C)(C)CCS(N)(=O)=O.
What is the InChIKey of 3,3-dimethylbutane-1-sulfonamide?
The InChIKey is AFODNAMKZDWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2S/c1-6(2,3)4-5-10(7,8)9/h4-5H2,1-3H3,(H2,7,8,9).
What are the key properties of 3,3-dimethylbutane-1-sulfonamide?
3,3-dimethylbutane-1-sulfonamide has a molecular weight of 165.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 51892333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).