3-methylcyclobutane-1-sulfonamide

C5H11NO2S — CID 103564838

IUPAC3-methylcyclobutane-1-sulfonamide
SMILESCC1CC(S(N)(=O)=O)C1
InChIInChI=1S/C5H11NO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)
InChIKeyBCVWPLQZOWMMMO-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.07
Rot. Bonds1

About 3-methylcyclobutane-1-sulfonamide

3-methylcyclobutane-1-sulfonamide (PubChem CID 103564838) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-methylcyclobutane-1-sulfonamide.

Molecular Properties

Compound Name3-methylcyclobutane-1-sulfonamide
PubChem CID103564838
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC Name3-methylcyclobutane-1-sulfonamide
SMILESCC1CC(S(N)(=O)=O)C1
InChIInChI=1S/C5H11NO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)
InChIKeyBCVWPLQZOWMMMO-UHFFFAOYSA-N
XLogP0.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylcyclobutane-1-sulfonamide?
The IUPAC name of 3-methylcyclobutane-1-sulfonamide (CID 103564838) is 3-methylcyclobutane-1-sulfonamide.
What is the SMILES notation for 3-methylcyclobutane-1-sulfonamide?
The canonical SMILES for 3-methylcyclobutane-1-sulfonamide is CC1CC(S(N)(=O)=O)C1.
What is the InChIKey of 3-methylcyclobutane-1-sulfonamide?
The InChIKey is BCVWPLQZOWMMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 3-methylcyclobutane-1-sulfonamide?
3-methylcyclobutane-1-sulfonamide has a molecular weight of 149.21 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclobutane-1-sulfonamide is sourced from PubChem (CID 103564838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).