[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

C13H15N3O2S2 — CID 63238329

IUPAC[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESCS(=O)(=O)c1ccc(SCc2cccnc2NN)cc1
InChIInChI=1S/C13H15N3O2S2/c1-20(17,18)12-6-4-11(5-7-12)19-9-10-3-2-8-15-13(10)16-14/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyAHKRWYCVMZADRD-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.06
Rot. Bonds5

About [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine

[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (PubChem CID 63238329) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
PubChem CID63238329
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
SMILESCS(=O)(=O)c1ccc(SCc2cccnc2NN)cc1
InChIInChI=1S/C13H15N3O2S2/c1-20(17,18)12-6-4-11(5-7-12)19-9-10-3-2-8-15-13(10)16-14/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyAHKRWYCVMZADRD-UHFFFAOYSA-N
XLogP2.06
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.06
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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Related Compounds

2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]phenol
CID 62466321
[3-(propan-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 62464001
2-[(4-methylsulfonylphenyl)sulfanylmethyl]benzenecarboximidamide
CID 63238309
N-methyl-3-(naphthalen-2-ylsulfanylmethyl)pyridin-2-amine
CID 62468559
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465954
2-[(2-hydrazinyl-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 62464174
[3-[(2,4-difluorophenyl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62465416
5-[(4-methylsulfonylphenyl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63591174
N-[(2-ethylphenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 64694908
[3-[(3-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 62764191
N-(2-ethylphenyl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456850
[3-(oxetan-3-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 79326355

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine (CID 63238329) is [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is CS(=O)(=O)c1ccc(SCc2cccnc2NN)cc1.
What is the InChIKey of [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
The InChIKey is AHKRWYCVMZADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-20(17,18)12-6-4-11(5-7-12)19-9-10-3-2-8-15-13(10)16-14/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine?
[3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine has a molecular weight of 309.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylsulfonylphenyl)sulfanylmethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 63238329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).