1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid

C15H18N2O2S — CID 3820380

IUPAC1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
SMILESCC(C)c1nc2sc(C(=O)O)c(N)c2c2c1CCCC2
InChIInChI=1S/C15H18N2O2S/c1-7(2)12-9-6-4-3-5-8(9)10-11(16)13(15(18)19)20-14(10)17-12/h7H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyYYWLZVGCZKBORB-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.58
Rot. Bonds2

About 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid

1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid (PubChem CID 3820380) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
PubChem CID3820380
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid
SMILESCC(C)c1nc2sc(C(=O)O)c(N)c2c2c1CCCC2
InChIInChI=1S/C15H18N2O2S/c1-7(2)12-9-6-4-3-5-8(9)10-11(16)13(15(18)19)20-14(10)17-12/h7H,3-6,16H2,1-2H3,(H,18,19)
InChIKeyYYWLZVGCZKBORB-UHFFFAOYSA-N
XLogP3.58
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
The IUPAC name of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid (CID 3820380) is 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
The canonical SMILES for 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid is CC(C)c1nc2sc(C(=O)O)c(N)c2c2c1CCCC2.
What is the InChIKey of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
The InChIKey is YYWLZVGCZKBORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-7(2)12-9-6-4-3-5-8(9)10-11(16)13(15(18)19)20-14(10)17-12/h7H,3-6,16H2,1-2H3,(H,18,19).
What are the key properties of 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid?
1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid is sourced from PubChem (CID 3820380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).