(1-methylsulfonylcyclobutyl)methanol

C6H12O3S — CID 91636019

IUPAC(1-methylsulfonylcyclobutyl)methanol
SMILESCS(=O)(=O)C1(CO)CCC1
InChIInChI=1S/C6H12O3S/c1-10(8,9)6(5-7)3-2-4-6/h7H,2-5H2,1H3
InChIKeyUCEPWJZPSKQKTR-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.05
Rot. Bonds2

About (1-methylsulfonylcyclobutyl)methanol

(1-methylsulfonylcyclobutyl)methanol (PubChem CID 91636019) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is (1-methylsulfonylcyclobutyl)methanol.

Molecular Properties

Compound Name(1-methylsulfonylcyclobutyl)methanol
PubChem CID91636019
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name(1-methylsulfonylcyclobutyl)methanol
SMILESCS(=O)(=O)C1(CO)CCC1
InChIInChI=1S/C6H12O3S/c1-10(8,9)6(5-7)3-2-4-6/h7H,2-5H2,1H3
InChIKeyUCEPWJZPSKQKTR-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylcyclobutyl)methanol?
The IUPAC name of (1-methylsulfonylcyclobutyl)methanol (CID 91636019) is (1-methylsulfonylcyclobutyl)methanol.
What is the SMILES notation for (1-methylsulfonylcyclobutyl)methanol?
The canonical SMILES for (1-methylsulfonylcyclobutyl)methanol is CS(=O)(=O)C1(CO)CCC1.
What is the InChIKey of (1-methylsulfonylcyclobutyl)methanol?
The InChIKey is UCEPWJZPSKQKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-10(8,9)6(5-7)3-2-4-6/h7H,2-5H2,1H3.
What are the key properties of (1-methylsulfonylcyclobutyl)methanol?
(1-methylsulfonylcyclobutyl)methanol has a molecular weight of 164.23 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylcyclobutyl)methanol is sourced from PubChem (CID 91636019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).