1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine

C15H23BrN2O2S — CID 63250076

IUPAC1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2S/c1-17-12-14-4-2-3-9-18(14)10-11-21(19,20)15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyAQPAWWXBLJWLDK-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.30
Rot. Bonds6

About 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63250076) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63250076
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2S/c1-17-12-14-4-2-3-9-18(14)10-11-21(19,20)15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3
InChIKeyAQPAWWXBLJWLDK-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119912042
N-methyl-1-[1-(3-methylsulfonylpropyl)piperidin-2-yl]methanamine
CID 63191742
1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986156
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
N-methyl-1-[1-(4-propylsulfonylphenyl)pyrrolidin-2-yl]methanamine
CID 62587078
(3R)-1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-ol
CID 94156277
4-[2-(2-ethylpyrrolidin-1-yl)ethylsulfonyl]benzonitrile
CID 79507311
1-[2-(4-bromophenyl)sulfonylethyl]-3-methylpiperidin-4-ol
CID 114681390
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
1-[1-[[5-(4-bromophenyl)furan-2-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316758
2-(4-bromophenyl)sulfonyl-N-methylethanamine
CID 60641137
2-(4-bromophenyl)-1-[2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63249383

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine (CID 63250076) is 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1CCS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is AQPAWWXBLJWLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-17-12-14-4-2-3-9-18(14)10-11-21(19,20)15-7-5-13(16)6-8-15/h5-8,14,17H,2-4,9-12H2,1H3.
What are the key properties of 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 375.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63250076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).