N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine

C15H23BrN2O2S — CID 43109619

IUPACN-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(C)c2ccccc2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-3-21(19,20)18-10-8-13(9-11-18)17-12(2)14-6-4-5-7-15(14)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyGRQXUHLEKNEQHN-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.91
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine

N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine (PubChem CID 43109619) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
PubChem CID43109619
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NC(C)c2ccccc2Br)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-3-21(19,20)18-10-8-13(9-11-18)17-12(2)14-6-4-5-7-15(14)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyGRQXUHLEKNEQHN-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[(1R)-1-(2-bromophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81379065
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
4-[1-(2-bromophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054573
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81379091
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
tert-butyl 4-[[(1S)-1-(2-bromophenyl)ethyl]amino]azepane-1-carboxylate
CID 113361622

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine (CID 43109619) is N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NC(C)c2ccccc2Br)CC1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is GRQXUHLEKNEQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-3-21(19,20)18-10-8-13(9-11-18)17-12(2)14-6-4-5-7-15(14)16/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine?
N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 375.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43109619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).