[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine

C12H25N3O3S — CID 105229386

IUPAC[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)C2CCOC2)C1
InChIInChI=1S/C12H25N3O3S/c1-19(16,17)15-5-2-3-10(8-15)7-12(14-13)11-4-6-18-9-11/h10-12,14H,2-9,13H2,1H3
InChIKeyJGHIOJKFKQFZBM-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.08
Rot. Bonds5

About [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine

[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine (PubChem CID 105229386) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
PubChem CID105229386
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)C2CCOC2)C1
InChIInChI=1S/C12H25N3O3S/c1-19(16,17)15-5-2-3-10(8-15)7-12(14-13)11-4-6-18-9-11/h10-12,14H,2-9,13H2,1H3
InChIKeyJGHIOJKFKQFZBM-UHFFFAOYSA-N
XLogP-0.08
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.08
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

2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethanol
CID 79612405
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255803
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
[4-methylsulfonyl-1-(oxolan-3-yl)butyl]hydrazine
CID 105229315
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011185
N-ethyl-1-(3-methyloxolan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105011091
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine (CID 105229386) is [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine is CS(=O)(=O)N1CCCC(CC(NN)C2CCOC2)C1.
What is the InChIKey of [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
The InChIKey is JGHIOJKFKQFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-19(16,17)15-5-2-3-10(8-15)7-12(14-13)11-4-6-18-9-11/h10-12,14H,2-9,13H2,1H3.
What are the key properties of [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine?
[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine has a molecular weight of 291.42 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105229386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).