6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide

C11H15N5O2S — CID 114613759

IUPAC6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ncc[nH]2)cn1
InChIInChI=1S/C11H15N5O2S/c12-7-9-1-2-10(8-15-9)19(17,18)16-4-3-11-13-5-6-14-11/h1-2,5-6,8,16H,3-4,7,12H2,(H,13,14)
InChIKeyJHFADJDGADRDAP-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.22
Rot. Bonds6

About 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide

6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 114613759) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID114613759
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2ncc[nH]2)cn1
InChIInChI=1S/C11H15N5O2S/c12-7-9-1-2-10(8-15-9)19(17,18)16-4-3-11-13-5-6-14-11/h1-2,5-6,8,16H,3-4,7,12H2,(H,13,14)
InChIKeyJHFADJDGADRDAP-UHFFFAOYSA-N
XLogP-0.22
TPSA113.76 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 ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
CID 114613166
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-sulfonamide
CID 106085204
5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide
CID 106081668
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 106085239
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylfuran-3-sulfonamide
CID 106085167
6-hydrazinyl-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64531399
N-[2-(1H-imidazol-2-yl)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106085254
4-amino-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64518015
2-amino-N-(1H-imidazol-2-ylmethyl)pyrimidine-5-sulfonamide
CID 64525554
3-bromo-4-chloro-N-[3-(1H-imidazol-2-yl)propyl]benzenesulfonamide
CID 106606470
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
N-[2-(1H-imidazol-2-yl)ethyl]-2-(methylaminomethyl)benzenesulfonamide
CID 106085257

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide (CID 114613759) is 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide is NCc1ccc(S(=O)(=O)NCCc2ncc[nH]2)cn1.
What is the InChIKey of 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is JHFADJDGADRDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-7-9-1-2-10(8-15-9)19(17,18)16-4-3-11-13-5-6-14-11/h1-2,5-6,8,16H,3-4,7,12H2,(H,13,14).
What are the key properties of 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide?
6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).