(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline

C13H13NS — CID 42080152

IUPAC(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
SMILESc1csc([C@@H]2CNc3ccccc3C2)c1
InChIInChI=1S/C13H13NS/c1-2-5-12-10(4-1)8-11(9-14-12)13-6-3-7-15-13/h1-7,11,14H,8-9H2/t11-/m0/s1
InChIKeyDXMLIDCRXYTMAO-NSHDSACASA-N
MW215.32 g/mol
LogP3.50
Rot. Bonds1

About (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline

(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 42080152) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID42080152
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline
SMILESc1csc([C@@H]2CNc3ccccc3C2)c1
InChIInChI=1S/C13H13NS/c1-2-5-12-10(4-1)8-11(9-14-12)13-6-3-7-15-13/h1-7,11,14H,8-9H2/t11-/m0/s1
InChIKeyDXMLIDCRXYTMAO-NSHDSACASA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903185
4-thiophen-2-yl-4,5-dihydro-1H-1,3-benzodiazepine
CID 22414412
3-(4-phenylphenyl)-1,2,3,4-tetrahydroquinoline
CID 101408194
3-(1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106903175
6-(1,2,3,4-tetrahydroquinolin-3-yl)-1,2,3,4-tetrahydroquinoxaline
CID 134443689
3-(2,6-difluoro-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106780991
3-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781776
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
(2S)-2-thiophen-2-ylaziridine
CID 55263035
butanamide;4-thiophen-2-ylpyrrolidin-2-one
CID 142081529
3-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106903170

Frequently Asked Questions

What is the IUPAC name of (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline (CID 42080152) is (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline is c1csc([C@@H]2CNc3ccccc3C2)c1.
What is the InChIKey of (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is DXMLIDCRXYTMAO-NSHDSACASA-N. The full InChI is InChI=1S/C13H13NS/c1-2-5-12-10(4-1)8-11(9-14-12)13-6-3-7-15-13/h1-7,11,14H,8-9H2/t11-/m0/s1.
What are the key properties of (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline?
(3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 215.32 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-thiophen-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 42080152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).