3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol

C11H15NO3S — CID 117355624

IUPAC3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1CC1(N)CC1
InChIInChI=1S/C11H15NO3S/c1-16(14,15)10-8(3-2-4-9(10)13)7-11(12)5-6-11/h2-4,13H,5-7,12H2,1H3
InChIKeyOEMCKUTXGALIGB-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.83
Rot. Bonds3

About 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol

3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol (PubChem CID 117355624) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol.

Molecular Properties

Compound Name3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
PubChem CID117355624
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol
SMILESCS(=O)(=O)c1c(O)cccc1CC1(N)CC1
InChIInChI=1S/C11H15NO3S/c1-16(14,15)10-8(3-2-4-9(10)13)7-11(12)5-6-11/h2-4,13H,5-7,12H2,1H3
InChIKeyOEMCKUTXGALIGB-UHFFFAOYSA-N
XLogP0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminooxymethyl)-2-methylsulfonylphenol
CID 117309189
1-(3-hydroxy-2-methylsulfonylphenyl)propan-2-one
CID 117328853
(3-hydroxy-2-methylsulfonylphenyl)methanesulfonyl chloride
CID 117458220
3-(1-aminocyclopentyl)-2-methylsulfonylphenol
CID 117391524
3-(3-hydroxy-2-methylsulfonylphenyl)propanal
CID 117328828
2-methylsulfonyl-3-(piperidin-4-ylmethyl)phenol
CID 117426876
3-(3-hydroxy-2-methylsulfonylphenyl)-2-methylpropanoic acid
CID 117399283
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
methyl 2-[2-[(1-aminocyclopropyl)methyl]phenyl]acetate
CID 115031363
3-[(1-aminocyclopropyl)methyl]naphthalen-2-ol
CID 117304411
1-[(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)methyl]cyclopropan-1-amine
CID 117335130

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol?
The IUPAC name of 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol (CID 117355624) is 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol.
What is the SMILES notation for 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol?
The canonical SMILES for 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol is CS(=O)(=O)c1c(O)cccc1CC1(N)CC1.
What is the InChIKey of 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol?
The InChIKey is OEMCKUTXGALIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-16(14,15)10-8(3-2-4-9(10)13)7-11(12)5-6-11/h2-4,13H,5-7,12H2,1H3.
What are the key properties of 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol?
3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol has a molecular weight of 241.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopropyl)methyl]-2-methylsulfonylphenol is sourced from PubChem (CID 117355624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).