(Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine

C16H23F3N4OS — CID 176945739

IUPAC(Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine
SMILESCN/C=C(\NN)[C@@H]1C[C@]2(C[C@H](C)N1)OCCc1cc(C(F)(F)F)sc12
InChIInChI=1S/C16H23F3N4OS/c1-9-6-15(7-11(22-9)12(23-20)8-21-2)14-10(3-4-24-15)5-13(25-14)16(17,18)19/h5,8-9,11,21-23H,3-4,6-7,20H2,1-2H3/b12-8-/t9-,11-,15-/m0/s1
InChIKeyCLEPEAJEWZNHEM-HVCOGSQOSA-N
MW376.45 g/mol
LogP2.20
Rot. Bonds3

About (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine

(Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine (PubChem CID 176945739) has the molecular formula C16H23F3N4OS and a molecular weight of 376.45 g/mol. Its IUPAC name is (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine.

Molecular Properties

Compound Name(Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine
PubChem CID176945739
Molecular FormulaC16H23F3N4OS
Molecular Weight376.45 g/mol
Exact Mass376.15
IUPAC Name(Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine
SMILESCN/C=C(\NN)[C@@H]1C[C@]2(C[C@H](C)N1)OCCc1cc(C(F)(F)F)sc12
InChIInChI=1S/C16H23F3N4OS/c1-9-6-15(7-11(22-9)12(23-20)8-21-2)14-10(3-4-24-15)5-13(25-14)16(17,18)19/h5,8-9,11,21-23H,3-4,6-7,20H2,1-2H3/b12-8-/t9-,11-,15-/m0/s1
InChIKeyCLEPEAJEWZNHEM-HVCOGSQOSA-N
XLogP2.20
TPSA71.34 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine?
The IUPAC name of (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine (CID 176945739) is (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine.
What is the SMILES notation for (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine?
The canonical SMILES for (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine is CN/C=C(\NN)[C@@H]1C[C@]2(C[C@H](C)N1)OCCc1cc(C(F)(F)F)sc12.
What is the InChIKey of (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine?
The InChIKey is CLEPEAJEWZNHEM-HVCOGSQOSA-N. The full InChI is InChI=1S/C16H23F3N4OS/c1-9-6-15(7-11(22-9)12(23-20)8-21-2)14-10(3-4-24-15)5-13(25-14)16(17,18)19/h5,8-9,11,21-23H,3-4,6-7,20H2,1-2H3/b12-8-/t9-,11-,15-/m0/s1.
What are the key properties of (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine?
(Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine has a molecular weight of 376.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydrazinyl-N-methyl-2-[(2'S,6'S,7S)-6'-methyl-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]ethenamine is sourced from PubChem (CID 176945739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).