[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine

C12H17BrN2O2S — CID 43605305

IUPAC[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2O2S/c13-11-2-1-3-12(8-11)18(16,17)15-6-4-10(9-14)5-7-15/h1-3,8,10H,4-7,9,14H2
InChIKeyJKUGGSQLMLAGOG-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.81
Rot. Bonds3

About [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine

[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 43605305) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
PubChem CID43605305
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2O2S/c13-11-2-1-3-12(8-11)18(16,17)15-6-4-10(9-14)5-7-15/h1-3,8,10H,4-7,9,14H2
InChIKeyJKUGGSQLMLAGOG-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963784
1-(3-bromophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845024
1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987758
(4aS,8aS)-2-(3-bromophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926600
3-[4-(aminomethyl)piperidin-1-yl]sulfonyl-5-bromobenzamide
CID 120999487
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
methyl 3-[4-(aminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119963710
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
(3aR,7aS)-2-(3-bromophenyl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 43598524
[1-(3-bromophenyl)sulfonyl-4-methylpiperazin-2-yl]methanamine
CID 80506000
4-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]piperidine-1-sulfonamide
CID 106002812

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine (CID 43605305) is [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is JKUGGSQLMLAGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-11-2-1-3-12(8-11)18(16,17)15-6-4-10(9-14)5-7-15/h1-3,8,10H,4-7,9,14H2.
What are the key properties of [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine?
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 333.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 43605305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).