3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine

C21H34N4OS — CID 174102923

IUPAC3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine
SMILESCCc1cc2c(s1)CCOC21CCN(CC(/C=N/C(CC)CC)=NN)CC1
InChIInChI=1S/C21H34N4OS/c1-4-16(5-2)23-14-17(24-22)15-25-10-8-21(9-11-25)19-13-18(6-3)27-20(19)7-12-26-21/h13-14,16H,4-12,15,22H2,1-3H3/b23-14+,24-17?
InChIKeyIWWOHPIVWAPVNK-GWTAGLHBSA-N
MW390.60 g/mol
LogP3.75
Rot. Bonds7

About 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine

3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine (PubChem CID 174102923) has the molecular formula C21H34N4OS and a molecular weight of 390.60 g/mol. Its IUPAC name is 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine.

Molecular Properties

Compound Name3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine
PubChem CID174102923
Molecular FormulaC21H34N4OS
Molecular Weight390.60 g/mol
Exact Mass390.25
IUPAC Name3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine
SMILESCCc1cc2c(s1)CCOC21CCN(CC(/C=N/C(CC)CC)=NN)CC1
InChIInChI=1S/C21H34N4OS/c1-4-16(5-2)23-14-17(24-22)15-25-10-8-21(9-11-25)19-13-18(6-3)27-20(19)7-12-26-21/h13-14,16H,4-12,15,22H2,1-3H3/b23-14+,24-17?
InChIKeyIWWOHPIVWAPVNK-GWTAGLHBSA-N
XLogP3.75
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.60
LogP ≤ 53.75
H-Bond Donors ≤ 51
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

1-[[(2Z)-3-[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-hydrazinylidenepropylidene]amino]-3-methoxypropan-2-ol
CID 176762403
(2Z)-3-[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-hydrazinylidene-N-[(2-methyl-1,4-dioxan-2-yl)methyl]propan-1-imine
CID 176762343
(2Z)-3-[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-2-hydrazinylidene-N-[2-methyl-2-(oxan-4-yl)propyl]propan-1-imine
CID 176762328
2-ethyl-1'-[(1-methyltriazol-4-yl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169140671
2-ethyl-1'-(1,3-thiazol-5-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139169
1'-[(1-cyclopropyltriazol-4-yl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169138788
(Z)-1-[amino(ethyl)amino]-3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)prop-1-en-2-amine;N-(ethoxymethyl)formamide
CID 169139426
N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]-2-methylsulfonylacetamide
CID 169138932
5-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]pyridine-2-carboxylic acid
CID 169139909
1'-[(6-bromo-3-pyridinyl)methyl]-2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139849
propan-2-yl N-[3-[(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)methyl]cyclobutyl]carbamate
CID 169139105
2-ethyl-1'-[(2-fluoro-4-methylsulfonylphenyl)methyl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
CID 169139461

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine?
The IUPAC name of 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine (CID 174102923) is 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine.
What is the SMILES notation for 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine?
The canonical SMILES for 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine is CCc1cc2c(s1)CCOC21CCN(CC(/C=N/C(CC)CC)=NN)CC1.
What is the InChIKey of 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine?
The InChIKey is IWWOHPIVWAPVNK-GWTAGLHBSA-N. The full InChI is InChI=1S/C21H34N4OS/c1-4-16(5-2)23-14-17(24-22)15-25-10-8-21(9-11-25)19-13-18(6-3)27-20(19)7-12-26-21/h13-14,16H,4-12,15,22H2,1-3H3/b23-14+,24-17?.
What are the key properties of 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine?
3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine has a molecular weight of 390.60 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-2-hydrazinylidene-N-pentan-3-ylpropan-1-imine is sourced from PubChem (CID 174102923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).