(3-methylsulfonylcyclobutyl)methanol

C6H12O3S — CID 115012982

IUPAC(3-methylsulfonylcyclobutyl)methanol
SMILESCS(=O)(=O)C1CC(CO)C1
InChIInChI=1S/C6H12O3S/c1-10(8,9)6-2-5(3-6)4-7/h5-7H,2-4H2,1H3
InChIKeyKAFOUQHCYDGYBE-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.20
Rot. Bonds2

About (3-methylsulfonylcyclobutyl)methanol

(3-methylsulfonylcyclobutyl)methanol (PubChem CID 115012982) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (3-methylsulfonylcyclobutyl)methanol.

Molecular Properties

Compound Name(3-methylsulfonylcyclobutyl)methanol
PubChem CID115012982
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(3-methylsulfonylcyclobutyl)methanol
SMILESCS(=O)(=O)C1CC(CO)C1
InChIInChI=1S/C6H12O3S/c1-10(8,9)6-2-5(3-6)4-7/h5-7H,2-4H2,1H3
InChIKeyKAFOUQHCYDGYBE-UHFFFAOYSA-N
XLogP-0.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylcyclobutyl)methanol?
The IUPAC name of (3-methylsulfonylcyclobutyl)methanol (CID 115012982) is (3-methylsulfonylcyclobutyl)methanol.
What is the SMILES notation for (3-methylsulfonylcyclobutyl)methanol?
The canonical SMILES for (3-methylsulfonylcyclobutyl)methanol is CS(=O)(=O)C1CC(CO)C1.
What is the InChIKey of (3-methylsulfonylcyclobutyl)methanol?
The InChIKey is KAFOUQHCYDGYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(8,9)6-2-5(3-6)4-7/h5-7H,2-4H2,1H3.
What are the key properties of (3-methylsulfonylcyclobutyl)methanol?
(3-methylsulfonylcyclobutyl)methanol has a molecular weight of 164.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylcyclobutyl)methanol is sourced from PubChem (CID 115012982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).