2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide

C11H15N5O2S — CID 106594600

IUPAC2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C11H15N5O2S/c1-16(8-11-14-5-6-15-11)19(17,18)10-3-2-4-13-9(10)7-12/h2-6H,7-8,12H2,1H3,(H,14,15)
InChIKeyXJYWKHHIQGRHBL-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.08
Rot. Bonds5

About 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide

2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide (PubChem CID 106594600) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
PubChem CID106594600
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1cccnc1CN
InChIInChI=1S/C11H15N5O2S/c1-16(8-11-14-5-6-15-11)19(17,18)10-3-2-4-13-9(10)7-12/h2-6H,7-8,12H2,1H3,(H,14,15)
InChIKeyXJYWKHHIQGRHBL-UHFFFAOYSA-N
XLogP0.08
TPSA104.97 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 ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-imidazol-2-yl)pyridine
CID 589313
4-((4-(1-Cyclopropyl-2-methyl-1H-imidazol-5-YL)pyrimidin-2-YL)amino)-N-methylbenzenesulfonamide
CID 24901723
2-((1H-imidazol-4-yl)methyl)pyridine
CID 9877454
N-Methyl-3-(9h-Purin-6-Ylamino)benzenesulfonamide
CID 54675470
4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
CID 137643315
N-(cyclohexylmethyl)-N-(1H-imidazol-4-ylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]benzenesulfonamide
CID 483310
4-{[(1H-imidazol-2-yl)methylidene]amino}benzene-1-sulfonamide
CID 135411191
N-(2,4-dimethylpentan-3-yl)-N-(1H-imidazol-5-ylmethyl)-4-(pentan-3-ylamino)benzenesulfonamide
CID 44325020
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 16195005
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 4130652
(2-Imidazol-4-ylethyl)[(4-iodophenyl)sulfonyl]amine
CID 5177367
N*2*-[2-(1H-Imidazol-4-yl)-ethyl]-pyridine-2,5-diamine
CID 10081601

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide (CID 106594600) is 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1cccnc1CN.
What is the InChIKey of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is XJYWKHHIQGRHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-16(8-11-14-5-6-15-11)19(17,18)10-3-2-4-13-9(10)7-12/h2-6H,7-8,12H2,1H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide?
2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 106594600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).