2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine

C17H26N4OS — CID 165024064

IUPAC2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
SMILESCCc1cc2c(s1)C1(C[C@@H](C(/C=N/C)=NN)N[C@@H](C)C1)OCC2
InChIInChI=1S/C17H26N4OS/c1-4-13-7-12-5-6-22-17(16(12)23-13)8-11(2)20-14(9-17)15(21-18)10-19-3/h7,10-11,14,20H,4-6,8-9,18H2,1-3H3/b19-10+,21-15?/t11-,14-,17?/m0/s1
InChIKeyZPEBZLWAYWPDFW-ZHKDXVSKSA-N
MW334.49 g/mol
LogP2.23
Rot. Bonds3

About 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine

2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine (PubChem CID 165024064) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine.

Molecular Properties

Compound Name2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
PubChem CID165024064
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
SMILESCCc1cc2c(s1)C1(C[C@@H](C(/C=N/C)=NN)N[C@@H](C)C1)OCC2
InChIInChI=1S/C17H26N4OS/c1-4-13-7-12-5-6-22-17(16(12)23-13)8-11(2)20-14(9-17)15(21-18)10-19-3/h7,10-11,14,20H,4-6,8-9,18H2,1-3H3/b19-10+,21-15?/t11-,14-,17?/m0/s1
InChIKeyZPEBZLWAYWPDFW-ZHKDXVSKSA-N
XLogP2.23
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
CID 164725948
(2Z)-2-[(2'S,6'R)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
CID 170657754
methyl 2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-carboxylate
CID 175919978
(2Z)-2-[(6'S)-6-chloro-2,6'-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine
CID 168912698
(2'S,6'S,7S)-2-chloro-2'-cyclopropyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725563
(2'S,7R)-2-(2,2-difluoroethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169140653
1-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-N,N-dimethylcyclopropan-1-amine
CID 164725960
2-chloro-2'-methyl-6'-(2-methylpyrazol-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726138
5-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]pyrimidin-2-amine
CID 164725799
(2'S,6'S,7S)-2-chloro-2'-methyl-6'-(3-methylpyrazin-2-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726079
1-[4-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)triazol-1-yl]butan-2-ol
CID 164726094
2'-methyl-6'-(1-methyltriazol-4-yl)-2-(trifluoromethyl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 171572117

Frequently Asked Questions

What is the IUPAC name of 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The IUPAC name of 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine (CID 165024064) is 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine.
What is the SMILES notation for 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The canonical SMILES for 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine is CCc1cc2c(s1)C1(C[C@@H](C(/C=N/C)=NN)N[C@@H](C)C1)OCC2.
What is the InChIKey of 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
The InChIKey is ZPEBZLWAYWPDFW-ZHKDXVSKSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-4-13-7-12-5-6-22-17(16(12)23-13)8-11(2)20-14(9-17)15(21-18)10-19-3/h7,10-11,14,20H,4-6,8-9,18H2,1-3H3/b19-10+,21-15?/t11-,14-,17?/m0/s1.
What are the key properties of 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine?
2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine has a molecular weight of 334.49 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2'S,6'S)-2-ethyl-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-hydrazinylidene-N-methylethanimine is sourced from PubChem (CID 165024064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).