2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide

C12H20N4O3S — CID 114613706

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C12H20N4O3S/c1-3-16(4-2)12(17)9-15-20(18,19)11-6-5-10(7-13)14-8-11/h5-6,8,15H,3-4,7,9,13H2,1-2H3
InChIKeyVGUJJZLGHGOJRB-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.31
Rot. Bonds7

About 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide

2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide (PubChem CID 114613706) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
PubChem CID114613706
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNS(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C12H20N4O3S/c1-3-16(4-2)12(17)9-15-20(18,19)11-6-5-10(7-13)14-8-11/h5-6,8,15H,3-4,7,9,13H2,1-2H3
InChIKeyVGUJJZLGHGOJRB-UHFFFAOYSA-N
XLogP-0.31
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[(4-sulfamoylphenyl)sulfonylamino]acetamide
CID 55433934
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-cyclopropylacetamide
CID 114613175
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
2-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-diethylacetamide
CID 106545765
3-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N-butan-2-ylpropanamide
CID 114613390
6-(aminomethyl)-N-(2-sulfamoylethyl)pyridine-3-sulfonamide
CID 114613166
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
2-[[4-(aminomethyl)phenyl]sulfonylamino]-N,N-dimethylacetamide
CID 43310982
6-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-sulfonamide
CID 114613617
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide (CID 114613706) is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNS(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide?
The InChIKey is VGUJJZLGHGOJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-16(4-2)12(17)9-15-20(18,19)11-6-5-10(7-13)14-8-11/h5-6,8,15H,3-4,7,9,13H2,1-2H3.
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide?
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide has a molecular weight of 300.38 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide is sourced from PubChem (CID 114613706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).