2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline

C15H24N2O3S — CID 63870510

IUPAC2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCCOC1CCNCC1
InChIInChI=1S/C15H24N2O3S/c1-2-21(18,19)15-6-4-3-5-14(15)17-11-12-20-13-7-9-16-10-8-13/h3-6,13,16-17H,2,7-12H2,1H3
InChIKeyMARNUVCITZALPF-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.66
Rot. Bonds7

About 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline

2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline (PubChem CID 63870510) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
PubChem CID63870510
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
SMILESCCS(=O)(=O)c1ccccc1NCCOC1CCNCC1
InChIInChI=1S/C15H24N2O3S/c1-2-21(18,19)15-6-4-3-5-14(15)17-11-12-20-13-7-9-16-10-8-13/h3-6,13,16-17H,2,7-12H2,1H3
InChIKeyMARNUVCITZALPF-UHFFFAOYSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclohexyloxyethyl)-2-ethylsulfonylaniline
CID 63826664
1-phenyl-N-(2-piperidin-4-yloxyethyl)methanesulfonamide
CID 63871482
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
CID 62951511
2-ethylsulfonyl-N-(3-methoxy-3-methylbutyl)aniline
CID 106675293
2-methylsulfonyl-N-(2-piperidin-4-yloxyethyl)ethanesulfonamide
CID 55252432
4-fluoro-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63870153
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
2-fluoro-5-methyl-N-(2-piperidin-4-yloxyethyl)benzenesulfonamide
CID 63871828
N-(2-piperidin-4-yloxyethyl)quinolin-2-amine
CID 63871845

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline?
The IUPAC name of 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline (CID 63870510) is 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline.
What is the SMILES notation for 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline?
The canonical SMILES for 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline is CCS(=O)(=O)c1ccccc1NCCOC1CCNCC1.
What is the InChIKey of 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline?
The InChIKey is MARNUVCITZALPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-2-21(18,19)15-6-4-3-5-14(15)17-11-12-20-13-7-9-16-10-8-13/h3-6,13,16-17H,2,7-12H2,1H3.
What are the key properties of 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline?
2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline has a molecular weight of 312.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline is sourced from PubChem (CID 63870510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).