2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide

C9H14N3O3S+ — CID 134822155

IUPAC2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)CC[n+]1ccc(N)cc1
InChIInChI=1S/C9H13N3O3S/c10-8-1-3-12(4-2-8)5-6-16(14,15)7-9(11)13/h1-4,10H,5-7H2,(H2,11,13)/p+1
InChIKeyAMKCJNQDGBHYBY-UHFFFAOYSA-O
MW244.30 g/mol
LogP-1.54
Rot. Bonds5

About 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide

2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide (PubChem CID 134822155) has the molecular formula C9H14N3O3S+ and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide
PubChem CID134822155
Molecular FormulaC9H14N3O3S+
Molecular Weight244.30 g/mol
Exact Mass244.08
IUPAC Name2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide
SMILESNC(=O)CS(=O)(=O)CC[n+]1ccc(N)cc1
InChIInChI=1S/C9H13N3O3S/c10-8-1-3-12(4-2-8)5-6-16(14,15)7-9(11)13/h1-4,10H,5-7H2,(H2,11,13)/p+1
InChIKeyAMKCJNQDGBHYBY-UHFFFAOYSA-O
XLogP-1.54
TPSA107.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-pyridin-1-ium-1-ylpropylsulfonyl)acetamide chloride
CID 134822152
3-(4-aminopyridin-1-ium-1-yl)propanamide
CID 58581741
2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride
CID 134822227
methyl 1-[5-(2-amino-2-oxoethyl)sulfonylpentyl]pyridin-1-ium-3-carboxylate bromide
CID 134822285
2-[2-(3-aminophenoxy)ethylsulfonyl]acetamide
CID 82182921
2-(3-anilinopropylsulfonyl)acetamide
CID 114231941
1-[2-[2-(3-carboxypyridin-1-ium-1-yl)ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylic acid
CID 67320816
1-propylpyridin-1-ium-4-amine bromide
CID 13073422
1-[(4-aminopyridin-1-ium-1-yl)methyl]pyridin-1-ium-4-amine dichloride
CID 46846155
3-(4-aminophenyl)sulfonylpropanamide
CID 61367837
1-decylpyridin-1-ium-4-amine bromide
CID 44656372
1-[8-(4-carbamoylpyridin-1-ium-1-yl)octyl]pyridin-1-ium-4-carboxamide
CID 101399160

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide?
The IUPAC name of 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide (CID 134822155) is 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide.
What is the SMILES notation for 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide?
The canonical SMILES for 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide is NC(=O)CS(=O)(=O)CC[n+]1ccc(N)cc1.
What is the InChIKey of 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide?
The InChIKey is AMKCJNQDGBHYBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3O3S/c10-8-1-3-12(4-2-8)5-6-16(14,15)7-9(11)13/h1-4,10H,5-7H2,(H2,11,13)/p+1.
What are the key properties of 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide?
2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide has a molecular weight of 244.30 g/mol, XLogP of -1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide is sourced from PubChem (CID 134822155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).