1-hydroxy-2,2-dimethylpropane-1-sulfonamide

C5H13NO3S — CID 18987118

IUPAC1-hydroxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)C(O)S(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(2,3)4(7)10(6,8)9/h4,7H,1-3H3,(H2,6,8,9)
InChIKeyZGZBFPZDNWXBIT-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.36
Rot. Bonds1

About 1-hydroxy-2,2-dimethylpropane-1-sulfonamide

1-hydroxy-2,2-dimethylpropane-1-sulfonamide (PubChem CID 18987118) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethylpropane-1-sulfonamide
PubChem CID18987118
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name1-hydroxy-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)C(O)S(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(2,3)4(7)10(6,8)9/h4,7H,1-3H3,(H2,6,8,9)
InChIKeyZGZBFPZDNWXBIT-UHFFFAOYSA-N
XLogP-0.36
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.36
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-dimethylpropane-1-sulfonamide?
The IUPAC name of 1-hydroxy-2,2-dimethylpropane-1-sulfonamide (CID 18987118) is 1-hydroxy-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 1-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 1-hydroxy-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)C(O)S(N)(=O)=O.
What is the InChIKey of 1-hydroxy-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is ZGZBFPZDNWXBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-5(2,3)4(7)10(6,8)9/h4,7H,1-3H3,(H2,6,8,9).
What are the key properties of 1-hydroxy-2,2-dimethylpropane-1-sulfonamide?
1-hydroxy-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 18987118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).