5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide

C12H15N5O2S — CID 106088578

IUPAC5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cncnc2)nc1
InChIInChI=1S/C12H15N5O2S/c1-2-13-5-10-3-4-12(16-6-10)20(18,19)17-11-7-14-9-15-8-11/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyKZNJYMUYEUQRQJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.78
Rot. Bonds6

About 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide

5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide (PubChem CID 106088578) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
PubChem CID106088578
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)Nc2cncnc2)nc1
InChIInChI=1S/C12H15N5O2S/c1-2-13-5-10-3-4-12(16-6-10)20(18,19)17-11-7-14-9-15-8-11/h3-4,6-9,13,17H,2,5H2,1H3
InChIKeyKZNJYMUYEUQRQJ-UHFFFAOYSA-N
XLogP0.78
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 106051487
5-(ethylaminomethyl)-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-sulfonamide
CID 106080557
5-(ethylaminomethyl)-N-(4-methylhexan-2-yl)pyridine-2-sulfonamide
CID 106066707
5-(ethylaminomethyl)-N-(3-methylsulfanylpropyl)pyridine-2-sulfonamide
CID 106066192
5-(ethylaminomethyl)-N-(3-propoxypropyl)pyridine-2-sulfonamide
CID 106074139
N-(2-butoxyethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106017521
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)pyridine-2-sulfonamide
CID 106084753
5-(ethylaminomethyl)-N-(5-methoxypentyl)pyridine-2-sulfonamide
CID 106092686
5-(ethylaminomethyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106016201
5-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-sulfonamide
CID 79846057
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)pyridine-2-sulfonamide
CID 106017285
5-[2-(ethylamino)ethyl]-N-pyrimidin-5-ylthiophene-2-sulfonamide
CID 106088598

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide (CID 106088578) is 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide is CCNCc1ccc(S(=O)(=O)Nc2cncnc2)nc1.
What is the InChIKey of 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide?
The InChIKey is KZNJYMUYEUQRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-2-13-5-10-3-4-12(16-6-10)20(18,19)17-11-7-14-9-15-8-11/h3-4,6-9,13,17H,2,5H2,1H3.
What are the key properties of 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide?
5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-pyrimidin-5-ylpyridine-2-sulfonamide is sourced from PubChem (CID 106088578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).