2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide

C10H16N4O3S — CID 114613147

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C10H16N4O3S/c1-12-10(15)7-14(2)18(16,17)9-4-3-8(5-11)13-6-9/h3-4,6H,5,7,11H2,1-2H3,(H,12,15)
InChIKeyPFDVAEOSUSGVGQ-UHFFFAOYSA-N
MW272.33 g/mol
LogP-1.09
Rot. Bonds5

About 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide

2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide (PubChem CID 114613147) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide
PubChem CID114613147
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(CN)nc1
InChIInChI=1S/C10H16N4O3S/c1-12-10(15)7-14(2)18(16,17)9-4-3-8(5-11)13-6-9/h3-4,6H,5,7,11H2,1-2H3,(H,12,15)
InChIKeyPFDVAEOSUSGVGQ-UHFFFAOYSA-N
XLogP-1.09
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
CID 115486849
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374804
2-[(3-aminophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374811
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
2-[[5-(aminomethyl)thiophen-2-yl]sulfonyl-methylamino]-N-methylacetamide
CID 114165998
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
6-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 114613243
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 47298920
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 116791482
2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]-N,N-diethylacetamide
CID 114613706

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide (CID 114613147) is 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccc(CN)nc1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is PFDVAEOSUSGVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-12-10(15)7-14(2)18(16,17)9-4-3-8(5-11)13-6-9/h3-4,6H,5,7,11H2,1-2H3,(H,12,15).
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide?
2-[[6-(aminomethyl)-3-pyridinyl]sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 272.33 g/mol, XLogP of -1.09, 5 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]sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 114613147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).