N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide

C13H21BrN4O2S — CID 106020517

IUPACN-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN4O2S/c1-2-15-10-12-5-3-4-8-18(12)21(19,20)17-13-7-6-11(14)9-16-13/h6-7,9,12,15H,2-5,8,10H2,1H3,(H,16,17)
InChIKeySBNDNPCZLOKUTM-UHFFFAOYSA-N
MW377.31 g/mol
LogP1.96
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide

N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106020517) has the molecular formula C13H21BrN4O2S and a molecular weight of 377.31 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106020517
Molecular FormulaC13H21BrN4O2S
Molecular Weight377.31 g/mol
Exact Mass376.06
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C13H21BrN4O2S/c1-2-15-10-12-5-3-4-8-18(12)21(19,20)17-13-7-6-11(14)9-16-13/h6-7,9,12,15H,2-5,8,10H2,1H3,(H,16,17)
InChIKeySBNDNPCZLOKUTM-UHFFFAOYSA-N
XLogP1.96
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106086578
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
2-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089752
2-(ethylaminomethyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-sulfonamide
CID 81174553
N-(5-bromo-2-pyridinyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 47130960
N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106030566
N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721
N-[[1-(5-bromopyrimidin-2-yl)pyrrolidin-2-yl]methyl]ethanamine
CID 63873612
2-(ethylaminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 106046357
2-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072179
N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106020517) is N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is SBNDNPCZLOKUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2S/c1-2-15-10-12-5-3-4-8-18(12)21(19,20)17-13-7-6-11(14)9-16-13/h6-7,9,12,15H,2-5,8,10H2,1H3,(H,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 377.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106020517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).