2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde

C17H22N2OS — CID 57152214

IUPAC2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde
SMILESCN1CCC2(CC1)CSc1cc3c(cc12)N(CC=O)CC3
InChIInChI=1S/C17H22N2OS/c1-18-6-3-17(4-7-18)12-21-16-10-13-2-5-19(8-9-20)15(13)11-14(16)17/h9-11H,2-8,12H2,1H3
InChIKeyFFJGOSUGTSSIBH-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.32
Rot. Bonds2

About 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde

2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde (PubChem CID 57152214) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde
PubChem CID57152214
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde
SMILESCN1CCC2(CC1)CSc1cc3c(cc12)N(CC=O)CC3
InChIInChI=1S/C17H22N2OS/c1-18-6-3-17(4-7-18)12-21-16-10-13-2-5-19(8-9-20)15(13)11-14(16)17/h9-11H,2-8,12H2,1H3
InChIKeyFFJGOSUGTSSIBH-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde?
The IUPAC name of 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde (CID 57152214) is 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde.
What is the SMILES notation for 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde?
The canonical SMILES for 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde is CN1CCC2(CC1)CSc1cc3c(cc12)N(CC=O)CC3.
What is the InChIKey of 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde?
The InChIKey is FFJGOSUGTSSIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-18-6-3-17(4-7-18)12-21-16-10-13-2-5-19(8-9-20)15(13)11-14(16)17/h9-11H,2-8,12H2,1H3.
What are the key properties of 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde?
2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde has a molecular weight of 302.44 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-methylspiro[6,7-dihydro-2H-thieno[2,3-f]indole-3,4'-piperidine]-5-yl)acetaldehyde is sourced from PubChem (CID 57152214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).