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

C13H27N3O2S2 — CID 105255803

IUPAC[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)C2CCCCS2)C1
InChIInChI=1S/C13H27N3O2S2/c1-20(17,18)16-7-4-5-11(10-16)9-12(15-14)13-6-2-3-8-19-13/h11-13,15H,2-10,14H2,1H3
InChIKeyBSYIPZIUEUQTOX-UHFFFAOYSA-N
MW321.51 g/mol
LogP1.17
Rot. Bonds5

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

[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine (PubChem CID 105255803) has the molecular formula C13H27N3O2S2 and a molecular weight of 321.51 g/mol. Its IUPAC name is [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
PubChem CID105255803
Molecular FormulaC13H27N3O2S2
Molecular Weight321.51 g/mol
Exact Mass321.15
IUPAC Name[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(NN)C2CCCCS2)C1
InChIInChI=1S/C13H27N3O2S2/c1-20(17,18)16-7-4-5-11(10-16)9-12(15-14)13-6-2-3-8-19-13/h11-13,15H,2-10,14H2,1H3
InChIKeyBSYIPZIUEUQTOX-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 51.17
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

N-methyl-2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethanamine
CID 80627676
[1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322801
[2-(1-methylsulfonylpiperidin-3-yl)-1-(oxolan-3-yl)ethyl]hydrazine
CID 105229386
N-methyl-1-(2-methylcyclopropyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79622029
1-cyclopropyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609568
N-methyl-1-(4-methylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79612143
1-(1-methylsulfonylpiperidin-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105166960
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611008
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(4-ethylcyclohexyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610293
[1-(1-ethylcyclopentyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322790

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine (CID 105255803) is [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine is CS(=O)(=O)N1CCCC(CC(NN)C2CCCCS2)C1.
What is the InChIKey of [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine?
The InChIKey is BSYIPZIUEUQTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S2/c1-20(17,18)16-7-4-5-11(10-16)9-12(15-14)13-6-2-3-8-19-13/h11-13,15H,2-10,14H2,1H3.
What are the key properties of [2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine?
[2-(1-methylsulfonylpiperidin-3-yl)-1-(thian-2-yl)ethyl]hydrazine has a molecular weight of 321.51 g/mol, XLogP of 1.17, 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-(thian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105255803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).