2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine

C17H19NS2 — CID 81266138

IUPAC2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cc2c(s1)CCSC2
InChIInChI=1S/C17H19NS2/c18-17(13-5-4-11-2-1-3-12(11)8-13)16-9-14-10-19-7-6-15(14)20-16/h4-5,8-9,17H,1-3,6-7,10,18H2
InChIKeyFDNIYMFJKOIDTJ-UHFFFAOYSA-N
MW301.48 g/mol
LogP4.07
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine

2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine (PubChem CID 81266138) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
PubChem CID81266138
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC Name2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1cc2c(s1)CCSC2
InChIInChI=1S/C17H19NS2/c18-17(13-5-4-11-2-1-3-12(11)8-13)16-9-14-10-19-7-6-15(14)20-16/h4-5,8-9,17H,1-3,6-7,10,18H2
InChIKeyFDNIYMFJKOIDTJ-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine 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

(3,4-diethylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 115481997
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-ethylphenyl)methanamine
CID 105018676
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81261981
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(2,4-dimethylphenyl)methanamine
CID 81261720
2,3-dihydro-1H-inden-5-yl-(5-methylthiophen-2-yl)methanamine
CID 43198083
(5-bromo-4-chlorothiophen-2-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 80530682
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 81260728
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methoxy-3-methylphenyl)methanamine
CID 43464848
(4-chloro-2-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 105022597
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
2,3-dihydrofuran-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine
CID 102653234

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine (CID 81266138) is 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine is NC(c1ccc2c(c1)CCC2)c1cc2c(s1)CCSC2.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
The InChIKey is FDNIYMFJKOIDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS2/c18-17(13-5-4-11-2-1-3-12(11)8-13)16-9-14-10-19-7-6-15(14)20-16/h4-5,8-9,17H,1-3,6-7,10,18H2.
What are the key properties of 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine?
2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine has a molecular weight of 301.48 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanamine is sourced from PubChem (CID 81266138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).