N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

C11H15N5O2S — CID 106069732

IUPACN-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2cnc[nH]2)nc1
InChIInChI=1S/C11H15N5O2S/c1-12-4-9-2-3-11(14-5-9)19(17,18)16-7-10-6-13-8-15-10/h2-3,5-6,8,12,16H,4,7H2,1H3,(H,13,15)
InChIKeyHQQUTCHUAKAAHP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.00
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide

N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (PubChem CID 106069732) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
PubChem CID106069732
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2cnc[nH]2)nc1
InChIInChI=1S/C11H15N5O2S/c1-12-4-9-2-3-11(14-5-9)19(17,18)16-7-10-6-13-8-15-10/h2-3,5-6,8,12,16H,4,7H2,1H3,(H,13,15)
InChIKeyHQQUTCHUAKAAHP-UHFFFAOYSA-N
XLogP0.00
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylbutyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106085622
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
CID 106089544
N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
5-(methylaminomethyl)-N-(4,4,4-trifluorobutyl)pyridine-2-sulfonamide
CID 115522827
N-(3-methoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106050829
N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106086804
4-(aminomethyl)-2-fluoro-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
CID 106069704
2-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106066538
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
N-(3,3-dimethylbutan-2-yl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106079204

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide (CID 106069732) is N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is CNCc1ccc(S(=O)(=O)NCc2cnc[nH]2)nc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
The InChIKey is HQQUTCHUAKAAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-12-4-9-2-3-11(14-5-9)19(17,18)16-7-10-6-13-8-15-10/h2-3,5-6,8,12,16H,4,7H2,1H3,(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide?
N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106069732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).