(6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

C16H19N3S — CID 7289599

IUPAC(6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC(C)(C)[C@H]1CCc2nc3sc(C#N)c(N)c3cc2C1
InChIInChI=1S/C16H19N3S/c1-16(2,3)10-4-5-12-9(6-10)7-11-14(18)13(8-17)20-15(11)19-12/h7,10H,4-6,18H2,1-3H3/t10-/m0/s1
InChIKeyADKCUDIJQSVFDK-JTQLQIEISA-N
MW285.42 g/mol
LogP3.90
Rot. Bonds

About (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile

(6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (PubChem CID 7289599) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.

Molecular Properties

Compound Name(6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
PubChem CID7289599
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name(6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
SMILESCC(C)(C)[C@H]1CCc2nc3sc(C#N)c(N)c3cc2C1
InChIInChI=1S/C16H19N3S/c1-16(2,3)10-4-5-12-9(6-10)7-11-14(18)13(8-17)20-15(11)19-12/h7,10H,4-6,18H2,1-3H3/t10-/m0/s1
InChIKeyADKCUDIJQSVFDK-JTQLQIEISA-N
XLogP3.90
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The IUPAC name of (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile (CID 7289599) is (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile.
What is the SMILES notation for (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The canonical SMILES for (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is CC(C)(C)[C@H]1CCc2nc3sc(C#N)c(N)c3cc2C1.
What is the InChIKey of (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
The InChIKey is ADKCUDIJQSVFDK-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19N3S/c1-16(2,3)10-4-5-12-9(6-10)7-11-14(18)13(8-17)20-15(11)19-12/h7,10H,4-6,18H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile?
(6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile has a molecular weight of 285.42 g/mol, XLogP of 3.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-amino-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile is sourced from PubChem (CID 7289599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).