N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide

C13H21ClN4O2S — CID 106086578

IUPACN-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H21ClN4O2S/c1-2-15-10-11-6-3-4-9-18(11)21(19,20)17-13-12(14)7-5-8-16-13/h5,7-8,11,15H,2-4,6,9-10H2,1H3,(H,16,17)
InChIKeyJPGBENCMVLCNIN-UHFFFAOYSA-N
MW332.86 g/mol
LogP1.86
Rot. Bonds6

About N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide

N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106086578) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
PubChem CID106086578
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC NameN-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCCN1S(=O)(=O)Nc1ncccc1Cl
InChIInChI=1S/C13H21ClN4O2S/c1-2-15-10-11-6-3-4-9-18(11)21(19,20)17-13-12(14)7-5-8-16-13/h5,7-8,11,15H,2-4,6,9-10H2,1H3,(H,16,17)
InChIKeyJPGBENCMVLCNIN-UHFFFAOYSA-N
XLogP1.86
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106020517
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-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]ethanamine
CID 63879819
3-chloro-N-(ethylsulfamoyl)pyridin-2-amine
CID 103094532
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
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
N-[[1-(3-methyl-2-pyridinyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62592710
N-(3-bromo-4-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070944
N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide (CID 106086578) is N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide is CCNCC1CCCCN1S(=O)(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is JPGBENCMVLCNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2S/c1-2-15-10-11-6-3-4-9-18(11)21(19,20)17-13-12(14)7-5-8-16-13/h5,7-8,11,15H,2-4,6,9-10H2,1H3,(H,16,17).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide?
N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 332.86 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-(ethylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106086578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).