[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

C11H14F3N3S — CID 102710499

IUPAC[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)C1CCSC1
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)9-1-3-16-5-8(9)10(17-15)7-2-4-18-6-7/h1,3,5,7,10,17H,2,4,6,15H2
InChIKeyMJDOAXZWALUXMW-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.36
Rot. Bonds3

About [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine

[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (PubChem CID 102710499) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.

Molecular Properties

Compound Name[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
PubChem CID102710499
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC Name[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
SMILESNNC(c1cnccc1C(F)(F)F)C1CCSC1
InChIInChI=1S/C11H14F3N3S/c12-11(13,14)9-1-3-16-5-8(9)10(17-15)7-2-4-18-6-7/h1,3,5,7,10,17H,2,4,6,15H2
InChIKeyMJDOAXZWALUXMW-UHFFFAOYSA-N
XLogP2.36
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102709683
[cycloheptyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710352
[thiolan-2-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710391
[(2,2-dimethylcyclopropyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107005897
[(2,2-dimethylcyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 107195010
[(1,1-dioxothian-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710467
[quinolin-5-yl(thiolan-3-yl)methyl]hydrazine
CID 105327009
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
[(2,3-dichlorophenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105301765
[(4-tert-butylcyclohexyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105232736
(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710009
3-cyclopentyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709687

Frequently Asked Questions

What is the IUPAC name of [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The IUPAC name of [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine (CID 102710499) is [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine.
What is the SMILES notation for [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The canonical SMILES for [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is NNC(c1cnccc1C(F)(F)F)C1CCSC1.
What is the InChIKey of [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
The InChIKey is MJDOAXZWALUXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c12-11(13,14)9-1-3-16-5-8(9)10(17-15)7-2-4-18-6-7/h1,3,5,7,10,17H,2,4,6,15H2.
What are the key properties of [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine?
[thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine has a molecular weight of 277.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [thiolan-3-yl-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine is sourced from PubChem (CID 102710499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).