1-(3-oxocyclobutyl)propane-2-sulfonamide

C7H13NO3S — CID 154996455

IUPAC1-(3-oxocyclobutyl)propane-2-sulfonamide
SMILESCC(CC1CC(=O)C1)S(N)(=O)=O
InChIInChI=1S/C7H13NO3S/c1-5(12(8,10)11)2-6-3-7(9)4-6/h5-6H,2-4H2,1H3,(H2,8,10,11)
InChIKeyZTOXGHWVZLNYHF-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.03
Rot. Bonds3

About 1-(3-oxocyclobutyl)propane-2-sulfonamide

1-(3-oxocyclobutyl)propane-2-sulfonamide (PubChem CID 154996455) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(3-oxocyclobutyl)propane-2-sulfonamide.

Molecular Properties

Compound Name1-(3-oxocyclobutyl)propane-2-sulfonamide
PubChem CID154996455
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1-(3-oxocyclobutyl)propane-2-sulfonamide
SMILESCC(CC1CC(=O)C1)S(N)(=O)=O
InChIInChI=1S/C7H13NO3S/c1-5(12(8,10)11)2-6-3-7(9)4-6/h5-6H,2-4H2,1H3,(H2,8,10,11)
InChIKeyZTOXGHWVZLNYHF-UHFFFAOYSA-N
XLogP0.03
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-oxocyclobutyl)propane-2-sulfonamide?
The IUPAC name of 1-(3-oxocyclobutyl)propane-2-sulfonamide (CID 154996455) is 1-(3-oxocyclobutyl)propane-2-sulfonamide.
What is the SMILES notation for 1-(3-oxocyclobutyl)propane-2-sulfonamide?
The canonical SMILES for 1-(3-oxocyclobutyl)propane-2-sulfonamide is CC(CC1CC(=O)C1)S(N)(=O)=O.
What is the InChIKey of 1-(3-oxocyclobutyl)propane-2-sulfonamide?
The InChIKey is ZTOXGHWVZLNYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-5(12(8,10)11)2-6-3-7(9)4-6/h5-6H,2-4H2,1H3,(H2,8,10,11).
What are the key properties of 1-(3-oxocyclobutyl)propane-2-sulfonamide?
1-(3-oxocyclobutyl)propane-2-sulfonamide has a molecular weight of 191.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxocyclobutyl)propane-2-sulfonamide is sourced from PubChem (CID 154996455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).