N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide

C11H15N5O2S — CID 64518142

IUPACN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H15N5O2S/c1-12-11-9(4-3-5-15-11)19(17,18)16(2)8-10-13-6-7-14-10/h3-7H,8H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWOCNSUDWXIFUDG-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.67
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide

N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide (PubChem CID 64518142) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
PubChem CID64518142
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C11H15N5O2S/c1-12-11-9(4-3-5-15-11)19(17,18)16(2)8-10-13-6-7-14-10/h3-7H,8H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyWOCNSUDWXIFUDG-UHFFFAOYSA-N
XLogP0.67
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 106594600
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62147367
N-butyl-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62162650
3-[1H-imidazol-2-ylmethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 64512018
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62159075
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-oxo-1H-pyridine-3-sulfonamide
CID 64517543
4-chloro-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzenesulfonamide
CID 64519782
N-(1H-imidazol-2-ylmethyl)-N,2,5-trimethylthiophene-3-sulfonamide
CID 64517854
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152806
5-chloro-2-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64516881
N-methyl-N-propyl-2-(propylamino)pyridine-3-sulfonamide
CID 62144977
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylpyrimidine-5-sulfonamide
CID 64518721

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide (CID 64518142) is N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
The InChIKey is WOCNSUDWXIFUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-12-11-9(4-3-5-15-11)19(17,18)16(2)8-10-13-6-7-14-10/h3-7H,8H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide?
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64518142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).