2-propan-2-yloxyethanesulfonamide

C5H13NO3S — CID 54593133

IUPAC2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyGKJHQLWUYZPBMH-UHFFFAOYSA-N
MW167.23 g/mol
LogP-0.30
Rot. Bonds4

About 2-propan-2-yloxyethanesulfonamide

2-propan-2-yloxyethanesulfonamide (PubChem CID 54593133) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound Name2-propan-2-yloxyethanesulfonamide
PubChem CID54593133
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC Name2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(N)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyGKJHQLWUYZPBMH-UHFFFAOYSA-N
XLogP-0.30
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethanesulfonamide?
The IUPAC name of 2-propan-2-yloxyethanesulfonamide (CID 54593133) is 2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for 2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for 2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(N)(=O)=O.
What is the InChIKey of 2-propan-2-yloxyethanesulfonamide?
The InChIKey is GKJHQLWUYZPBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-5(2)9-3-4-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of 2-propan-2-yloxyethanesulfonamide?
2-propan-2-yloxyethanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 54593133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).