2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine

C12H14N2S — CID 86744960

IUPAC2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine
SMILESNC1=c2c3c(ccc2=CCS1)CCCN3
InChIInChI=1S/C12H14N2S/c13-12-10-8(5-7-15-12)3-4-9-2-1-6-14-11(9)10/h3-5,14H,1-2,6-7,13H2
InChIKeyJOQYJUCUYMVXQA-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.60
Rot. Bonds

About 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine

2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine (PubChem CID 86744960) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine.

Molecular Properties

Compound Name2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine
PubChem CID86744960
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine
SMILESNC1=c2c3c(ccc2=CCS1)CCCN3
InChIInChI=1S/C12H14N2S/c13-12-10-8(5-7-15-12)3-4-9-2-1-6-14-11(9)10/h3-5,14H,1-2,6-7,13H2
InChIKeyJOQYJUCUYMVXQA-UHFFFAOYSA-N
XLogP0.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine?
The IUPAC name of 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine (CID 86744960) is 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine.
What is the SMILES notation for 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine?
The canonical SMILES for 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine is NC1=c2c3c(ccc2=CCS1)CCCN3.
What is the InChIKey of 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine?
The InChIKey is JOQYJUCUYMVXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-12-10-8(5-7-15-12)3-4-9-2-1-6-14-11(9)10/h3-5,14H,1-2,6-7,13H2.
What are the key properties of 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine?
2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine has a molecular weight of 218.32 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,8-tetrahydro-1H-thiopyrano[4,3-h]quinolin-10-amine is sourced from PubChem (CID 86744960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).