N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine

C14H21BrN2O2S — CID 29274544

IUPACN-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O2S/c1-2-20(18,19)17-8-6-14(7-9-17)16-11-12-4-3-5-13(15)10-12/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeyRXPFBUJDGKVMGH-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.35
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine

N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine (PubChem CID 29274544) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
PubChem CID29274544
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
SMILESCCS(=O)(=O)N1CCC(NCc2cccc(Br)c2)CC1
InChIInChI=1S/C14H21BrN2O2S/c1-2-20(18,19)17-8-6-14(7-9-17)16-11-12-4-3-5-13(15)10-12/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeyRXPFBUJDGKVMGH-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43747948
3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43747980
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614655
N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 79032191
tert-butyl 4-[(3-bromophenyl)methylamino]piperidine-1-carboxylate;ethane
CID 143006069
N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103866090
N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103792535
N-[(5-chloro-2-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 75431856
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 28731283
tert-butyl (3R)-3-[(3-bromophenyl)methylamino]pyrrolidine-1-carboxylate
CID 96951609
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
N-[(3-bromophenyl)methyl]azepan-4-amine
CID 103981810

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine (CID 29274544) is N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine is CCS(=O)(=O)N1CCC(NCc2cccc(Br)c2)CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine?
The InChIKey is RXPFBUJDGKVMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-2-20(18,19)17-8-6-14(7-9-17)16-11-12-4-3-5-13(15)10-12/h3-5,10,14,16H,2,6-9,11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine?
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine has a molecular weight of 361.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine is sourced from PubChem (CID 29274544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).