1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine

C11H15NO2S — CID 84690014

IUPAC1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine
SMILESCS(=O)(=O)CC1(N)CC1c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-15(13,14)8-11(12)7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChIKeyXLISQPPDKGPZBN-UHFFFAOYSA-N
MW225.31 g/mol
LogP0.92
Rot. Bonds3

About 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine

1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine (PubChem CID 84690014) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine
PubChem CID84690014
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine
SMILESCS(=O)(=O)CC1(N)CC1c1ccccc1
InChIInChI=1S/C11H15NO2S/c1-15(13,14)8-11(12)7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3
InChIKeyXLISQPPDKGPZBN-UHFFFAOYSA-N
XLogP0.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine (CID 84690014) is 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine is CS(=O)(=O)CC1(N)CC1c1ccccc1.
What is the InChIKey of 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine?
The InChIKey is XLISQPPDKGPZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-15(13,14)8-11(12)7-10(11)9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3.
What are the key properties of 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine?
1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 84690014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).