2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine

C12H14N2S — CID 3056088

IUPAC2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine
SMILESNCC1CCSc2[nH]c3ccccc3c21
InChIInChI=1S/C12H14N2S/c13-7-8-5-6-15-12-11(8)9-3-1-2-4-10(9)14-12/h1-4,8,14H,5-7,13H2
InChIKeyMPNKHPNCBKDIDY-UHFFFAOYSA-N
MW218.32 g/mol
LogP2.71
Rot. Bonds1

About 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine

2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine (PubChem CID 3056088) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine.

Molecular Properties

Compound Name2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine
PubChem CID3056088
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine
SMILESNCC1CCSc2[nH]c3ccccc3c21
InChIInChI=1S/C12H14N2S/c13-7-8-5-6-15-12-11(8)9-3-1-2-4-10(9)14-12/h1-4,8,14H,5-7,13H2
InChIKeyMPNKHPNCBKDIDY-UHFFFAOYSA-N
XLogP2.71
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine?
The IUPAC name of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine (CID 3056088) is 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine.
What is the SMILES notation for 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine?
The canonical SMILES for 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine is NCC1CCSc2[nH]c3ccccc3c21.
What is the InChIKey of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine?
The InChIKey is MPNKHPNCBKDIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-7-8-5-6-15-12-11(8)9-3-1-2-4-10(9)14-12/h1-4,8,14H,5-7,13H2.
What are the key properties of 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine?
2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine has a molecular weight of 218.32 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-ylmethanamine is sourced from PubChem (CID 3056088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).