2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

C12H21N5O2S — CID 63209352

IUPAC2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C12H21N5O2S/c1-16(9-10-17-7-2-3-8-17)20(18,19)11-5-4-6-14-12(11)15-13/h4-6H,2-3,7-10,13H2,1H3,(H,14,15)
InChIKeyGOVYBBKSXUQHNF-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.08
Rot. Bonds6

About 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide

2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 63209352) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
PubChem CID63209352
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide
SMILESCN(CCN1CCCC1)S(=O)(=O)c1cccnc1NN
InChIInChI=1S/C12H21N5O2S/c1-16(9-10-17-7-2-3-8-17)20(18,19)11-5-4-6-14-12(11)15-13/h4-6H,2-3,7-10,13H2,1H3,(H,14,15)
InChIKeyGOVYBBKSXUQHNF-UHFFFAOYSA-N
XLogP0.08
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide (CID 63209352) is 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is CN(CCN1CCCC1)S(=O)(=O)c1cccnc1NN.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is GOVYBBKSXUQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-16(9-10-17-7-2-3-8-17)20(18,19)11-5-4-6-14-12(11)15-13/h4-6H,2-3,7-10,13H2,1H3,(H,14,15).
What are the key properties of 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide?
2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 63209352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).