(1-propan-2-ylsulfonylcyclobutyl)methanol

C8H16O3S — CID 117037527

IUPAC(1-propan-2-ylsulfonylcyclobutyl)methanol
SMILESCC(C)S(=O)(=O)C1(CO)CCC1
InChIInChI=1S/C8H16O3S/c1-7(2)12(10,11)8(6-9)4-3-5-8/h7,9H,3-6H2,1-2H3
InChIKeyMSBAERNQBNXJKN-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.72
Rot. Bonds3

About (1-propan-2-ylsulfonylcyclobutyl)methanol

(1-propan-2-ylsulfonylcyclobutyl)methanol (PubChem CID 117037527) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (1-propan-2-ylsulfonylcyclobutyl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylsulfonylcyclobutyl)methanol
PubChem CID117037527
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(1-propan-2-ylsulfonylcyclobutyl)methanol
SMILESCC(C)S(=O)(=O)C1(CO)CCC1
InChIInChI=1S/C8H16O3S/c1-7(2)12(10,11)8(6-9)4-3-5-8/h7,9H,3-6H2,1-2H3
InChIKeyMSBAERNQBNXJKN-UHFFFAOYSA-N
XLogP0.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfonylcyclobutyl)methanol?
The IUPAC name of (1-propan-2-ylsulfonylcyclobutyl)methanol (CID 117037527) is (1-propan-2-ylsulfonylcyclobutyl)methanol.
What is the SMILES notation for (1-propan-2-ylsulfonylcyclobutyl)methanol?
The canonical SMILES for (1-propan-2-ylsulfonylcyclobutyl)methanol is CC(C)S(=O)(=O)C1(CO)CCC1.
What is the InChIKey of (1-propan-2-ylsulfonylcyclobutyl)methanol?
The InChIKey is MSBAERNQBNXJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7(2)12(10,11)8(6-9)4-3-5-8/h7,9H,3-6H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfonylcyclobutyl)methanol?
(1-propan-2-ylsulfonylcyclobutyl)methanol has a molecular weight of 192.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfonylcyclobutyl)methanol is sourced from PubChem (CID 117037527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).