N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride

C14H21BrClN3O3S — CID 120708030

IUPACN-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CN)cc1Br.Cl
InChIInChI=1S/C14H20BrN3O3S.ClH/c1-10(19)17-14-6-5-12(8-13(14)15)22(20,21)18-7-3-2-4-11(18)9-16;/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19);1H
InChIKeyZGQXZXBEAIIBFQ-UHFFFAOYSA-N
MW426.76 g/mol
LogP2.33
Rot. Bonds4

About N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride

N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride (PubChem CID 120708030) has the molecular formula C14H21BrClN3O3S and a molecular weight of 426.76 g/mol. Its IUPAC name is N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
PubChem CID120708030
Molecular FormulaC14H21BrClN3O3S
Molecular Weight426.76 g/mol
Exact Mass425.02
IUPAC NameN-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CN)cc1Br.Cl
InChIInChI=1S/C14H20BrN3O3S.ClH/c1-10(19)17-14-6-5-12(8-13(14)15)22(20,21)18-7-3-2-4-11(18)9-16;/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19);1H
InChIKeyZGQXZXBEAIIBFQ-UHFFFAOYSA-N
XLogP2.33
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.76
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
[1-(3-bromo-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988723
1-[6-[(2R)-2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 124681524
1-[6-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119969556
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 124684733
N-[2-bromo-4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120710147
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylisoindole-1,3-dione;hydrochloride
CID 119969518
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120707986
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988893
[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988761

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride (CID 120708030) is N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CN)cc1Br.Cl.
What is the InChIKey of N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride?
The InChIKey is ZGQXZXBEAIIBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3S.ClH/c1-10(19)17-14-6-5-12(8-13(14)15)22(20,21)18-7-3-2-4-11(18)9-16;/h5-6,8,11H,2-4,7,9,16H2,1H3,(H,17,19);1H.
What are the key properties of N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride?
N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride has a molecular weight of 426.76 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-bromophenyl]acetamide;hydrochloride is sourced from PubChem (CID 120708030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).