N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide

C10H16N2O2S — CID 174517903

IUPACN-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCN(Cc1cccnc1)S(=O)(=O)CC
InChIInChI=1S/C10H16N2O2S/c1-3-12(15(13,14)4-2)9-10-6-5-7-11-8-10/h5-8H,3-4,9H2,1-2H3
InChIKeyJGIIJIPOMVMUQS-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.25
Rot. Bonds5

About N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 174517903) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID174517903
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCN(Cc1cccnc1)S(=O)(=O)CC
InChIInChI=1S/C10H16N2O2S/c1-3-12(15(13,14)4-2)9-10-6-5-7-11-8-10/h5-8H,3-4,9H2,1-2H3
InChIKeyJGIIJIPOMVMUQS-UHFFFAOYSA-N
XLogP1.25
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-methyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]butan-1-amine
CID 86931183
N-[furan-2-ylmethyl(pyridin-3-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 55627832
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9183425
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733
3-ethylpyridine
CID 10823
CID 174532487
CID 174532487

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 174517903) is N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCN(Cc1cccnc1)S(=O)(=O)CC.
What is the InChIKey of N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is JGIIJIPOMVMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-12(15(13,14)4-2)9-10-6-5-7-11-8-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 174517903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).