2-(1-methylsulfonylcyclopropyl)propan-2-ol

C7H14O3S — CID 119031003

IUPAC2-(1-methylsulfonylcyclopropyl)propan-2-ol
SMILESCC(C)(O)C1(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14O3S/c1-6(2,8)7(4-5-7)11(3,9)10/h8H,4-5H2,1-3H3
InChIKeyVLLDZBJCHOTBQA-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.33
Rot. Bonds2

About 2-(1-methylsulfonylcyclopropyl)propan-2-ol

2-(1-methylsulfonylcyclopropyl)propan-2-ol (PubChem CID 119031003) has the molecular formula C7H14O3S and a molecular weight of 178.25 g/mol. Its IUPAC name is 2-(1-methylsulfonylcyclopropyl)propan-2-ol.

Molecular Properties

Compound Name2-(1-methylsulfonylcyclopropyl)propan-2-ol
PubChem CID119031003
Molecular FormulaC7H14O3S
Molecular Weight178.25 g/mol
Exact Mass178.07
IUPAC Name2-(1-methylsulfonylcyclopropyl)propan-2-ol
SMILESCC(C)(O)C1(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14O3S/c1-6(2,8)7(4-5-7)11(3,9)10/h8H,4-5H2,1-3H3
InChIKeyVLLDZBJCHOTBQA-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methylsulfonylpropan-2-yl)cyclopropan-1-ol
CID 64013247
5-Methanesulfonyl-2-methylpentan-2-ol
CID 65144823
2-Cyclopropyl-4-methylsulfonylbutan-2-ol
CID 65146998
3-Cyclopropyl-1-methylsulfonylpentan-3-ol
CID 65153597
2-Methyl-1-(methylsulfonylmethyl)cyclopropan-1-ol
CID 79332192
2-Ethyl-1-(methylsulfonylmethyl)cyclopropan-1-ol
CID 79332443
2-Methyl-1-(2-methylsulfonylpropan-2-yl)cyclopropan-1-ol
CID 79333493
1-(1,1-Dioxothietan-3-yl)cyclopropan-1-ol
CID 84651423
1-(1-Methylsulfonylethyl)cyclopropan-1-ol
CID 104522040
2-Methyl-1-(1-methylsulfonylethyl)cyclopropan-1-ol
CID 104522041
1-(3-Methanesulfonylpropyl)cyclopropan-1-ol
CID 165649685
1-(2-Methanesulfonylethyl)cyclopropan-1-ol
CID 165668530

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylcyclopropyl)propan-2-ol?
The IUPAC name of 2-(1-methylsulfonylcyclopropyl)propan-2-ol (CID 119031003) is 2-(1-methylsulfonylcyclopropyl)propan-2-ol.
What is the SMILES notation for 2-(1-methylsulfonylcyclopropyl)propan-2-ol?
The canonical SMILES for 2-(1-methylsulfonylcyclopropyl)propan-2-ol is CC(C)(O)C1(S(C)(=O)=O)CC1.
What is the InChIKey of 2-(1-methylsulfonylcyclopropyl)propan-2-ol?
The InChIKey is VLLDZBJCHOTBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3S/c1-6(2,8)7(4-5-7)11(3,9)10/h8H,4-5H2,1-3H3.
What are the key properties of 2-(1-methylsulfonylcyclopropyl)propan-2-ol?
2-(1-methylsulfonylcyclopropyl)propan-2-ol has a molecular weight of 178.25 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylcyclopropyl)propan-2-ol is sourced from PubChem (CID 119031003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).