1-hydroxy-2,2-dimethylbutane-1-sulfonamide

C6H15NO3S — CID 142650705

IUPAC1-hydroxy-2,2-dimethylbutane-1-sulfonamide
SMILESCCC(C)(C)C(O)S(N)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-6(2,3)5(8)11(7,9)10/h5,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyIYKGFNRSXDTTTN-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.03
Rot. Bonds3

About 1-hydroxy-2,2-dimethylbutane-1-sulfonamide

1-hydroxy-2,2-dimethylbutane-1-sulfonamide (PubChem CID 142650705) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethylbutane-1-sulfonamide
PubChem CID142650705
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name1-hydroxy-2,2-dimethylbutane-1-sulfonamide
SMILESCCC(C)(C)C(O)S(N)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-6(2,3)5(8)11(7,9)10/h5,8H,4H2,1-3H3,(H2,7,9,10)
InChIKeyIYKGFNRSXDTTTN-UHFFFAOYSA-N
XLogP0.03
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2-dimethylbutane-1-sulfonamide?
The IUPAC name of 1-hydroxy-2,2-dimethylbutane-1-sulfonamide (CID 142650705) is 1-hydroxy-2,2-dimethylbutane-1-sulfonamide.
What is the SMILES notation for 1-hydroxy-2,2-dimethylbutane-1-sulfonamide?
The canonical SMILES for 1-hydroxy-2,2-dimethylbutane-1-sulfonamide is CCC(C)(C)C(O)S(N)(=O)=O.
What is the InChIKey of 1-hydroxy-2,2-dimethylbutane-1-sulfonamide?
The InChIKey is IYKGFNRSXDTTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-6(2,3)5(8)11(7,9)10/h5,8H,4H2,1-3H3,(H2,7,9,10).
What are the key properties of 1-hydroxy-2,2-dimethylbutane-1-sulfonamide?
1-hydroxy-2,2-dimethylbutane-1-sulfonamide has a molecular weight of 181.26 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 142650705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).