6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide

C12H17N5O2S — CID 63296118

IUPAC6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2nccn2C)cn1
InChIInChI=1S/C12H17N5O2S/c1-3-13-11-5-4-10(8-15-11)20(18,19)16-9-12-14-6-7-17(12)2/h4-8,16H,3,9H2,1-2H3,(H,13,15)
InChIKeySDPFZLXAKGTOGQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.73
Rot. Bonds6

About 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide

6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 63296118) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID63296118
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2nccn2C)cn1
InChIInChI=1S/C12H17N5O2S/c1-3-13-11-5-4-10(8-15-11)20(18,19)16-9-12-14-6-7-17(12)2/h4-8,16H,3,9H2,1-2H3,(H,13,15)
InChIKeySDPFZLXAKGTOGQ-UHFFFAOYSA-N
XLogP0.73
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 55171581
4-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 110440947
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
6-(methylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 62158342
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62150157
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
4-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295569
5-chloro-6-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601125
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide (CID 63296118) is 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCc2nccn2C)cn1.
What is the InChIKey of 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is SDPFZLXAKGTOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-13-11-5-4-10(8-15-11)20(18,19)16-9-12-14-6-7-17(12)2/h4-8,16H,3,9H2,1-2H3,(H,13,15).
What are the key properties of 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide?
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63296118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).