2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol

C7H14O3S — CID 104522041

IUPAC2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol
SMILESCC1CC1(O)C(C)S(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-5-4-7(5,8)6(2)11(3,9)10/h5-6,8H,4H2,1-3H3
InChIKeyLVNYXUYZYJOSCR-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.19
Rot. Bonds2

About 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol

2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol (PubChem CID 104522041) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol
PubChem CID104522041
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol
SMILESCC1CC1(O)C(C)S(C)(=O)=O
InChIInChI=1S/C7H14O3S/c1-5-4-7(5,8)6(2)11(3,9)10/h5-6,8H,4H2,1-3H3
InChIKeyLVNYXUYZYJOSCR-UHFFFAOYSA-N
XLogP0.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol?
The IUPAC name of 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol (CID 104522041) is 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol?
The canonical SMILES for 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol is CC1CC1(O)C(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol?
The InChIKey is LVNYXUYZYJOSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-5-4-7(5,8)6(2)11(3,9)10/h5-6,8H,4H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol?
2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol has a molecular weight of 178.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol is sourced from PubChem (CID 104522041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).