[1-(3-methylphenyl)sulfonylcyclopropyl]methanol

C11H14O3S — CID 115035637

IUPAC[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCc1cccc(S(=O)(=O)C2(CO)CC2)c1
InChIInChI=1S/C11H14O3S/c1-9-3-2-4-10(7-9)15(13,14)11(8-12)5-6-11/h2-4,7,12H,5-6,8H2,1H3
InChIKeyHEACKOCUWWGDFT-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.29
Rot. Bonds3

About [1-(3-methylphenyl)sulfonylcyclopropyl]methanol

[1-(3-methylphenyl)sulfonylcyclopropyl]methanol (PubChem CID 115035637) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is [1-(3-methylphenyl)sulfonylcyclopropyl]methanol.

Molecular Properties

Compound Name[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
PubChem CID115035637
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name[1-(3-methylphenyl)sulfonylcyclopropyl]methanol
SMILESCc1cccc(S(=O)(=O)C2(CO)CC2)c1
InChIInChI=1S/C11H14O3S/c1-9-3-2-4-10(7-9)15(13,14)11(8-12)5-6-11/h2-4,7,12H,5-6,8H2,1H3
InChIKeyHEACKOCUWWGDFT-UHFFFAOYSA-N
XLogP1.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(hydroxymethyl)cyclopentyl]sulfonylphenol
CID 115047800
[1-(4-ethylphenyl)sulfonylcyclopropyl]methanol
CID 117037448
4-ethyl-N'-hydroxy-4-(3-methylphenyl)sulfonyloxane-2-carboximidamide
CID 118445075
1-[(3-methylphenyl)sulfonylmethyl]cyclopropan-1-amine;hydrochloride
CID 164606955
3-methylbenzenesulfonamide
CID 69347063
[1-(2,5-dimethylphenyl)sulfonylcyclobutyl]methanol
CID 117037518
3-(3-methylphenyl)sulfonyloxetane-3-carbonitrile
CID 117037571
methyl 4-ethyl-4-(3-methylphenyl)sulfonyloxane-2-carboxylate
CID 118445077
N-[4-(aminomethyl)oxan-4-yl]-3-methylbenzenesulfonamide
CID 106297755
3-(3-methylphenyl)sulfonylphenol
CID 134285490
4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
[1-[3-[1-(3-methylphenyl)sulfonylcyclobutyl]propyl]piperidin-4-yl]-phenylmethanone
CID 21048775

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylphenyl)sulfonylcyclopropyl]methanol?
The IUPAC name of [1-(3-methylphenyl)sulfonylcyclopropyl]methanol (CID 115035637) is [1-(3-methylphenyl)sulfonylcyclopropyl]methanol.
What is the SMILES notation for [1-(3-methylphenyl)sulfonylcyclopropyl]methanol?
The canonical SMILES for [1-(3-methylphenyl)sulfonylcyclopropyl]methanol is Cc1cccc(S(=O)(=O)C2(CO)CC2)c1.
What is the InChIKey of [1-(3-methylphenyl)sulfonylcyclopropyl]methanol?
The InChIKey is HEACKOCUWWGDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-9-3-2-4-10(7-9)15(13,14)11(8-12)5-6-11/h2-4,7,12H,5-6,8H2,1H3.
What are the key properties of [1-(3-methylphenyl)sulfonylcyclopropyl]methanol?
[1-(3-methylphenyl)sulfonylcyclopropyl]methanol has a molecular weight of 226.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylphenyl)sulfonylcyclopropyl]methanol is sourced from PubChem (CID 115035637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).