1-(1-methylsulfonylethyl)cyclopropan-1-ol

C6H12O3S — CID 104522040

IUPAC1-(1-methylsulfonylethyl)cyclopropan-1-ol
SMILESCC(C1(O)CC1)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-5(10(2,8)9)6(7)3-4-6/h5,7H,3-4H2,1-2H3
InChIKeyCZSCTSHSENPLLB-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.06
Rot. Bonds2

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

1-(1-methylsulfonylethyl)cyclopropan-1-ol (PubChem CID 104522040) has the molecular formula C6H12O3S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-(1-methylsulfonylethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1-methylsulfonylethyl)cyclopropan-1-ol
PubChem CID104522040
Molecular FormulaC6H12O3S
Molecular Weight164.23 g/mol
Exact Mass164.05
IUPAC Name1-(1-methylsulfonylethyl)cyclopropan-1-ol
SMILESCC(C1(O)CC1)S(C)(=O)=O
InChIInChI=1S/C6H12O3S/c1-5(10(2,8)9)6(7)3-4-6/h5,7H,3-4H2,1-2H3
InChIKeyCZSCTSHSENPLLB-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylethyl)cyclopropan-1-ol?
The IUPAC name of 1-(1-methylsulfonylethyl)cyclopropan-1-ol (CID 104522040) is 1-(1-methylsulfonylethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1-methylsulfonylethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(1-methylsulfonylethyl)cyclopropan-1-ol is CC(C1(O)CC1)S(C)(=O)=O.
What is the InChIKey of 1-(1-methylsulfonylethyl)cyclopropan-1-ol?
The InChIKey is CZSCTSHSENPLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3S/c1-5(10(2,8)9)6(7)3-4-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(1-methylsulfonylethyl)cyclopropan-1-ol?
1-(1-methylsulfonylethyl)cyclopropan-1-ol has a molecular weight of 164.23 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylethyl)cyclopropan-1-ol is sourced from PubChem (CID 104522040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).