N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide

C8H13N3O2S — CID 66677968

IUPACN-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ncccc1CN
InChIInChI=1S/C8H13N3O2S/c1-2-14(12,13)11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3,(H,10,11)
InChIKeyFVHCIDDJVJKRJH-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.30
Rot. Bonds4

About N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide

N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide (PubChem CID 66677968) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
PubChem CID66677968
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ncccc1CN
InChIInChI=1S/C8H13N3O2S/c1-2-14(12,13)11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3,(H,10,11)
InChIKeyFVHCIDDJVJKRJH-UHFFFAOYSA-N
XLogP0.30
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethylsulfonylamino)-3-pyridinyl]methylcarbamic acid
CID 66957874
2-amino-N-[3-(aminomethyl)-2-pyridinyl]acetamide
CID 83618855
3-amino-N-(3-chloro-2-pyridinyl)propane-1-sulfonamide
CID 103094092
3-(aminomethyl)-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 82081174
N-[3-(methylaminomethyl)-2-pyridinyl]methanesulfonamide
CID 122468746
1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
CID 60978443
1-[4-(aminomethyl)phenyl]-N-(3-bromo-2-pyridinyl)methanesulfonamide
CID 106062175
N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
CID 103094659
3-ethyl-N-methylpyridin-2-amine;dihydrochloride
CID 70603683
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
3-chloro-N-(ethylsulfamoyl)pyridin-2-amine
CID 103094532

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide (CID 66677968) is N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ncccc1CN.
What is the InChIKey of N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide?
The InChIKey is FVHCIDDJVJKRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-2-14(12,13)11-8-7(6-9)4-3-5-10-8/h3-5H,2,6,9H2,1H3,(H,10,11).
What are the key properties of N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide?
N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 66677968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).