2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine

C13H19NO2S — CID 102570488

IUPAC2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine
SMILESCCc1ccc(C2C(N)C2S(=O)(=O)CC)cc1
InChIInChI=1S/C13H19NO2S/c1-3-9-5-7-10(8-6-9)11-12(14)13(11)17(15,16)4-2/h5-8,11-13H,3-4,14H2,1-2H3
InChIKeyBDLRAUUMHXAQOZ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.48
Rot. Bonds4

About 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine

2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine (PubChem CID 102570488) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine
PubChem CID102570488
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine
SMILESCCc1ccc(C2C(N)C2S(=O)(=O)CC)cc1
InChIInChI=1S/C13H19NO2S/c1-3-9-5-7-10(8-6-9)11-12(14)13(11)17(15,16)4-2/h5-8,11-13H,3-4,14H2,1-2H3
InChIKeyBDLRAUUMHXAQOZ-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
The IUPAC name of 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine (CID 102570488) is 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
The canonical SMILES for 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine is CCc1ccc(C2C(N)C2S(=O)(=O)CC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
The InChIKey is BDLRAUUMHXAQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-9-5-7-10(8-6-9)11-12(14)13(11)17(15,16)4-2/h5-8,11-13H,3-4,14H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine?
2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine has a molecular weight of 253.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-ethylsulfonylcyclopropan-1-amine is sourced from PubChem (CID 102570488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).