2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride

C10H15ClN4O4S — CID 134822227

IUPAC2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride
SMILESNNC(=O)c1ccc[n+](CCS(=O)(=O)CC(N)=O)c1.[Cl-]
InChIInChI=1S/C10H14N4O4S.ClH/c11-9(15)7-19(17,18)5-4-14-3-1-2-8(6-14)10(16)13-12;/h1-3,6H,4-5,7,12H2,(H2-,11,13,15,16);1H
InChIKeyXHDVDLLKLKZIAY-UHFFFAOYSA-N
MW322.77 g/mol
LogP-5.52
Rot. Bonds6

About 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride

2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride (PubChem CID 134822227) has the molecular formula C10H15ClN4O4S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride.

Molecular Properties

Compound Name2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride
PubChem CID134822227
Molecular FormulaC10H15ClN4O4S
Molecular Weight322.77 g/mol
Exact Mass322.05
IUPAC Name2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride
SMILESNNC(=O)c1ccc[n+](CCS(=O)(=O)CC(N)=O)c1.[Cl-]
InChIInChI=1S/C10H14N4O4S.ClH/c11-9(15)7-19(17,18)5-4-14-3-1-2-8(6-14)10(16)13-12;/h1-3,6H,4-5,7,12H2,(H2-,11,13,15,16);1H
InChIKeyXHDVDLLKLKZIAY-UHFFFAOYSA-N
XLogP-5.52
TPSA136.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 5-5.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl 1-[5-(2-amino-2-oxoethyl)sulfonylpentyl]pyridin-1-ium-3-carboxylate bromide
CID 134822285
1-[2-[2-(3-carboxypyridin-1-ium-1-yl)ethylsulfonyl]ethyl]pyridin-1-ium-3-carboxylic acid
CID 67320816
2-[2-(4-aminopyridin-1-ium-1-yl)ethylsulfonyl]acetamide
CID 134822155
2-(3-pyridin-1-ium-1-ylpropylsulfonyl)acetamide chloride
CID 134822152
N-hydroxy-1-(2-hydroxyethyl)pyridin-1-ium-3-carboxamide
CID 87875567
ethyl 4-(3-carbamoylpyridin-1-ium-1-yl)butanoate chloride
CID 15035112
1-propylpyridin-1-ium-3-carboxamide bromide
CID 12761071
1-dodecylpyridin-1-ium-3-carboxamide;hydrobromide
CID 126959750
1-dodecylpyridin-1-ium-3-carboxamide iodide
CID 10598096
1-hexylpyridin-1-ium-3-carboxamide iodide
CID 10520679
N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide
CID 59223376
1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride
CID 126959733

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride?
The IUPAC name of 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride (CID 134822227) is 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride.
What is the SMILES notation for 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride?
The canonical SMILES for 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride is NNC(=O)c1ccc[n+](CCS(=O)(=O)CC(N)=O)c1.[Cl-].
What is the InChIKey of 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride?
The InChIKey is XHDVDLLKLKZIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4S.ClH/c11-9(15)7-19(17,18)5-4-14-3-1-2-8(6-14)10(16)13-12;/h1-3,6H,4-5,7,12H2,(H2-,11,13,15,16);1H.
What are the key properties of 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride?
2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride has a molecular weight of 322.77 g/mol, XLogP of -5.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydrazinecarbonyl)pyridin-1-ium-1-yl]ethylsulfonyl]acetamide chloride is sourced from PubChem (CID 134822227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).