6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide

C8H14N4O4S2 — CID 114613166

IUPAC6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cn1
InChIInChI=1S/C8H14N4O4S2/c9-5-7-1-2-8(6-11-7)18(15,16)12-3-4-17(10,13)14/h1-2,6,12H,3-5,9H2,(H2,10,13,14)
InChIKeyKBCSWYRCLITFAV-UHFFFAOYSA-N
MW294.36 g/mol
LogP-1.89
Rot. Bonds6

About 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide

6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide (PubChem CID 114613166) has the molecular formula C8H14N4O4S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
PubChem CID114613166
Molecular FormulaC8H14N4O4S2
Molecular Weight294.36 g/mol
Exact Mass294.05
IUPAC Name6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cn1
InChIInChI=1S/C8H14N4O4S2/c9-5-7-1-2-8(6-11-7)18(15,16)12-3-4-17(10,13)14/h1-2,6,12H,3-5,9H2,(H2,10,13,14)
InChIKeyKBCSWYRCLITFAV-UHFFFAOYSA-N
XLogP-1.89
TPSA145.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 114613759
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]pyridine-3-sulfonamide
CID 114613015
3-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-butan-2-ylpropanamide
CID 114613390
6-(aminomethyl)-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
CID 114613762
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
6-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 114613617
2-chloro-N-(2-sulfamoylethyl)quinoline-6-sulfonamide
CID 43552240
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
1-methyl-N-(2-sulfamoylethyl)pyrazole-4-sulfonamide
CID 62063368

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide (CID 114613166) is 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide is NCc1ccc(S(=O)(=O)NCCS(N)(=O)=O)cn1.
What is the InChIKey of 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide?
The InChIKey is KBCSWYRCLITFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S2/c9-5-7-1-2-8(6-11-7)18(15,16)12-3-4-17(10,13)14/h1-2,6,12H,3-5,9H2,(H2,10,13,14).
What are the key properties of 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide?
6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide has a molecular weight of 294.36 g/mol, XLogP of -1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 114613166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).