3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide

C10H15N3OS — CID 102926020

IUPAC3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
SMILESCc1cc(C)nc(SCCC(=O)NN)c1
InChIInChI=1S/C10H15N3OS/c1-7-5-8(2)12-10(6-7)15-4-3-9(14)13-11/h5-6H,3-4,11H2,1-2H3,(H,13,14)
InChIKeyNGXMTDGXJHXPPG-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.17
Rot. Bonds4

About 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide

3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide (PubChem CID 102926020) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
PubChem CID102926020
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide
SMILESCc1cc(C)nc(SCCC(=O)NN)c1
InChIInChI=1S/C10H15N3OS/c1-7-5-8(2)12-10(6-7)15-4-3-9(14)13-11/h5-6H,3-4,11H2,1-2H3,(H,13,14)
InChIKeyNGXMTDGXJHXPPG-UHFFFAOYSA-N
XLogP1.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
CID 102924478
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pentanoic acid
CID 102924386
methyl 2-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methylbutanoate
CID 102925738
methyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)butanoate
CID 102925808
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethyl]propan-1-amine
CID 102925512
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanehydrazide
CID 63582849
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanamide
CID 102925687
1-amino-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]butan-2-ol
CID 102926755
3-(4-methylpyrimidin-2-yl)sulfanylpropanehydrazide
CID 63582535
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanamide
CID 102925766
ethyl 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(ethylamino)-2-methylbutanoate
CID 102925731
ethyl 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(propylamino)propanoate
CID 102925707

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide?
The IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide (CID 102926020) is 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide.
What is the SMILES notation for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide?
The canonical SMILES for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide is Cc1cc(C)nc(SCCC(=O)NN)c1.
What is the InChIKey of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide?
The InChIKey is NGXMTDGXJHXPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-5-8(2)12-10(6-7)15-4-3-9(14)13-11/h5-6H,3-4,11H2,1-2H3,(H,13,14).
What are the key properties of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide?
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide has a molecular weight of 225.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propanehydrazide is sourced from PubChem (CID 102926020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).