[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

C11H22F3N3O3S — CID 103217639

IUPAC[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(COCC(F)(F)F)NN)C1
InChIInChI=1S/C11H22F3N3O3S/c1-21(18,19)17-4-2-3-9(6-17)5-10(16-15)7-20-8-11(12,13)14/h9-10,16H,2-8,15H2,1H3
InChIKeyUIXZXYROIYKQRJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP0.46
Rot. Bonds7

About [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (PubChem CID 103217639) has the molecular formula C11H22F3N3O3S and a molecular weight of 333.38 g/mol. Its IUPAC name is [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
PubChem CID103217639
Molecular FormulaC11H22F3N3O3S
Molecular Weight333.38 g/mol
Exact Mass333.13
IUPAC Name[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCS(=O)(=O)N1CCCC(CC(COCC(F)(F)F)NN)C1
InChIInChI=1S/C11H22F3N3O3S/c1-21(18,19)17-4-2-3-9(6-17)5-10(16-15)7-20-8-11(12,13)14/h9-10,16H,2-8,15H2,1H3
InChIKeyUIXZXYROIYKQRJ-UHFFFAOYSA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 50.46
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-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79953434
[1-(1-methoxycyclobutyl)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-yl]hydrazine
CID 103560527
4-ethoxy-N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105167017
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
N-ethyl-1-methoxy-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79611847
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
[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-(oxolan-3-yl)ethyl]hydrazine
CID 105229386
3-ethyl-3-methoxy-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-ol
CID 116752854

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (CID 103217639) is [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is CS(=O)(=O)N1CCCC(CC(COCC(F)(F)F)NN)C1.
What is the InChIKey of [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The InChIKey is UIXZXYROIYKQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O3S/c1-21(18,19)17-4-2-3-9(6-17)5-10(16-15)7-20-8-11(12,13)14/h9-10,16H,2-8,15H2,1H3.
What are the key properties of [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
[1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine has a molecular weight of 333.38 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylsulfonylpiperidin-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103217639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).