2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline

C15H23NO2S — CID 102846486

IUPAC2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCC1(C(C)C)CC1
InChIInChI=1S/C15H23NO2S/c1-4-19(17,18)14-8-6-5-7-13(14)16-11-15(9-10-15)12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyMEQQDHLIWMNVGE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.33
Rot. Bonds6

About 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline

2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline (PubChem CID 102846486) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
PubChem CID102846486
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline
SMILESCCS(=O)(=O)c1ccccc1NCC1(C(C)C)CC1
InChIInChI=1S/C15H23NO2S/c1-4-19(17,18)14-8-6-5-7-13(14)16-11-15(9-10-15)12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyMEQQDHLIWMNVGE-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline?
The IUPAC name of 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline (CID 102846486) is 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline?
The canonical SMILES for 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline is CCS(=O)(=O)c1ccccc1NCC1(C(C)C)CC1.
What is the InChIKey of 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline?
The InChIKey is MEQQDHLIWMNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-19(17,18)14-8-6-5-7-13(14)16-11-15(9-10-15)12(2)3/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline?
2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline has a molecular weight of 281.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[(1-propan-2-ylcyclopropyl)methyl]aniline is sourced from PubChem (CID 102846486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).