N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide

C12H17N5O2S — CID 106085091

IUPACN-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2ncc[nH]2)nc1
InChIInChI=1S/C12H17N5O2S/c1-9(12-14-5-6-15-12)17-20(18,19)11-4-3-10(7-13-2)8-16-11/h3-6,8-9,13,17H,7H2,1-2H3,(H,14,15)
InChIKeyZSCWTMFMVNHPJK-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.56
Rot. Bonds6

About N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide

N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106085091) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106085091
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2ncc[nH]2)nc1
InChIInChI=1S/C12H17N5O2S/c1-9(12-14-5-6-15-12)17-20(18,19)11-4-3-10(7-13-2)8-16-11/h3-6,8-9,13,17H,7H2,1-2H3,(H,14,15)
InChIKeyZSCWTMFMVNHPJK-UHFFFAOYSA-N
XLogP0.56
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-imidazol-2-yl)ethyl]-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084997
N-[1-(1H-imidazol-2-yl)ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106084964
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 106050373
N-[1-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106085042
N-(4-ethylsulfanylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106084685
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
5-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-sulfonamide
CID 106050953
5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 106283934
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106069732
2-(aminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-sulfonamide
CID 106085015

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106085091) is N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NC(C)c2ncc[nH]2)nc1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is ZSCWTMFMVNHPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9(12-14-5-6-15-12)17-20(18,19)11-4-3-10(7-13-2)8-16-11/h3-6,8-9,13,17H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)ethyl]-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106085091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).