(Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine

C10H12N2OS — CID 129016100

IUPAC(Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)C1OCCc2sccc21
InChIInChI=1S/C10H12N2OS/c11-4-1-8(12)10-7-3-6-14-9(7)2-5-13-10/h1,3-4,6,10-11H,2,5,12H2/b8-1-,11-4+
InChIKeyJRWAWOVEEDQHDU-MLSOZZCESA-N
MW208.29 g/mol
LogP1.85
Rot. Bonds2

About (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine

(Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine (PubChem CID 129016100) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine
PubChem CID129016100
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name(Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C=C(\N)C1OCCc2sccc21
InChIInChI=1S/C10H12N2OS/c11-4-1-8(12)10-7-3-6-14-9(7)2-5-13-10/h1,3-4,6,10-11H,2,5,12H2/b8-1-,11-4+
InChIKeyJRWAWOVEEDQHDU-MLSOZZCESA-N
XLogP1.85
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

Ulotaront
CID 89532783
methyl({[(4R)-4H,6H,7H-thieno[3,2-c]pyran-4-yl]methyl})amine
CID 53237585
2-[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethanamine
CID 67258500
(Rac)-SEP-363856
CID 68335002
1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-methylmethanamine
CID 89532773
[(7s)-4h,5h,7h-Thieno[2,3-c]pyran-7-yl]methanamine
CID 89532776
4H,6H,7H-thieno[3,2-c]pyran-4-ylmethanamine
CID 12225896
[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 42556025
{2-fluoro-4H,6H,7H-thieno[3,2-c]pyran-4-yl}methanamine
CID 53238044
[(4R)-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 124566630
[(4S)-2-fluoro-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 124566631
[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methanamine
CID 42556023

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine (CID 129016100) is (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine is [H]/N=C/C=C(\N)C1OCCc2sccc21.
What is the InChIKey of (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine?
The InChIKey is JRWAWOVEEDQHDU-MLSOZZCESA-N. The full InChI is InChI=1S/C10H12N2OS/c11-4-1-8(12)10-7-3-6-14-9(7)2-5-13-10/h1,3-4,6,10-11H,2,5,12H2/b8-1-,11-4+.
What are the key properties of (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine?
(Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine has a molecular weight of 208.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 129016100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).