4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline

C15H23NO3S — CID 102846501

IUPAC4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCC2(CCOC)CC2)cc1
InChIInChI=1S/C15H23NO3S/c1-3-20(17,18)14-6-4-13(5-7-14)16-12-15(8-9-15)10-11-19-2/h4-7,16H,3,8-12H2,1-2H3
InChIKeyUOWQHELHRLWHBW-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.71
Rot. Bonds8

About 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline

4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline (PubChem CID 102846501) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline.

Molecular Properties

Compound Name4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline
PubChem CID102846501
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline
SMILESCCS(=O)(=O)c1ccc(NCC2(CCOC)CC2)cc1
InChIInChI=1S/C15H23NO3S/c1-3-20(17,18)14-6-4-13(5-7-14)16-12-15(8-9-15)10-11-19-2/h4-7,16H,3,8-12H2,1-2H3
InChIKeyUOWQHELHRLWHBW-UHFFFAOYSA-N
XLogP2.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-methylsulfonyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]aniline
CID 126799474
4-(difluoromethylsulfonyl)-N-(3-methoxypropyl)aniline
CID 43383569
4-(difluoromethylsulfonyl)-N-(3-ethoxypropyl)aniline
CID 43455318
4-(difluoromethylsulfonyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43683852
4-(difluoromethylsulfonyl)-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43683884
4-(difluoromethylsulfonyl)-N-(oxolan-3-ylmethyl)aniline
CID 43683893
N-(4-methoxybutyl)-4-(trifluoromethylsulfonyl)aniline
CID 60964507
4-(difluoromethylsulfonyl)-N-(4-methoxybutyl)aniline
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CID 60966150

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline?
The IUPAC name of 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline (CID 102846501) is 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline.
What is the SMILES notation for 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline?
The canonical SMILES for 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline is CCS(=O)(=O)c1ccc(NCC2(CCOC)CC2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline?
The InChIKey is UOWQHELHRLWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-3-20(17,18)14-6-4-13(5-7-14)16-12-15(8-9-15)10-11-19-2/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline?
4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline has a molecular weight of 297.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]aniline is sourced from PubChem (CID 102846501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).