(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine

C9H15N3O2S — CID 105317597

IUPAC(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine
SMILESCS(=O)(=O)CC(Cc1ccncc1)NN
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)7-9(12-10)6-8-2-4-11-5-3-8/h2-5,9,12H,6-7,10H2,1H3
InChIKeyXLICJDXMKHFSNM-UHFFFAOYSA-N
MW229.31 g/mol
LogP-0.50
Rot. Bonds5

About (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine

(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine (PubChem CID 105317597) has the molecular formula C9H15N3O2S and a molecular weight of 229.31 g/mol. Its IUPAC name is (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine.

Molecular Properties

Compound Name(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine
PubChem CID105317597
Molecular FormulaC9H15N3O2S
Molecular Weight229.31 g/mol
Exact Mass229.09
IUPAC Name(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine
SMILESCS(=O)(=O)CC(Cc1ccncc1)NN
InChIInChI=1S/C9H15N3O2S/c1-15(13,14)7-9(12-10)6-8-2-4-11-5-3-8/h2-5,9,12H,6-7,10H2,1H3
InChIKeyXLICJDXMKHFSNM-UHFFFAOYSA-N
XLogP-0.50
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105310388
4-(2-chloro-3-methylsulfonylpropyl)pyridine
CID 66459989
[1-(2,3-dihydro-1H-inden-5-yl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105310766
[1-(4-bromophenyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105195629
(6-methyl-1-pyridin-4-ylheptan-2-yl)hydrazine
CID 105212566
N-methyl-5-methylsulfonyl-1-pyridin-4-ylpentan-2-amine
CID 63192370
(4,5,5-trimethyl-1-pyridin-4-ylhexan-2-yl)hydrazine
CID 105317608
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105290340
(4-ethoxy-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105317575
(4-phenyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105205766
5-methylsulfonyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 55163915
(3-methyl-1-pyridin-4-ylbutan-2-yl)hydrazine
CID 105199657

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine?
The IUPAC name of (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine (CID 105317597) is (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine.
What is the SMILES notation for (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine?
The canonical SMILES for (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine is CS(=O)(=O)CC(Cc1ccncc1)NN.
What is the InChIKey of (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine?
The InChIKey is XLICJDXMKHFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-15(13,14)7-9(12-10)6-8-2-4-11-5-3-8/h2-5,9,12H,6-7,10H2,1H3.
What are the key properties of (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine?
(1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine has a molecular weight of 229.31 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonyl-3-pyridin-4-ylpropan-2-yl)hydrazine is sourced from PubChem (CID 105317597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).