N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine

C15H23BrN2O2S — CID 103779237

IUPACN-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(Cc1ccc(Br)cc1)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-12(11-13-3-5-14(16)6-4-13)17-15-7-9-18(10-8-15)21(2,19)20/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyANIZHIRHWQKOEO-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.39
Rot. Bonds5

About N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine

N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 103779237) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
PubChem CID103779237
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(Cc1ccc(Br)cc1)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23BrN2O2S/c1-12(11-13-3-5-14(16)6-4-13)17-15-7-9-18(10-8-15)21(2,19)20/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyANIZHIRHWQKOEO-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 115708819
N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 86787422
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
4-[(1-methylsulfonylpiperidin-4-yl)amino]pentan-1-ol
CID 113262654
N-(1-ethylsulfanylpropan-2-yl)-1-methylsulfonylpiperidin-4-amine
CID 56708476
4-[1-(4-bromophenyl)propan-2-ylamino]pyrrolidin-2-one
CID 106184042
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
N-[1-(4-bromophenyl)propan-2-yl]-3-ethoxycyclobutan-1-amine
CID 112553206
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
(2R)-1-(4-chlorophenyl)-N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]propan-2-amine
CID 97116075
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine (CID 103779237) is N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine is CC(Cc1ccc(Br)cc1)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ANIZHIRHWQKOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-12(11-13-3-5-14(16)6-4-13)17-15-7-9-18(10-8-15)21(2,19)20/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 375.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 103779237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).