2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol

C11H16N2S — CID 59090152

IUPAC2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
SMILESNc1ccc2c(c1)CCCN2CCS
InChIInChI=1S/C11H16N2S/c12-10-3-4-11-9(8-10)2-1-5-13(11)6-7-14/h3-4,8,14H,1-2,5-7,12H2
InChIKeyZNMLQKPOMKCZJB-UHFFFAOYSA-N
MW208.33 g/mol
LogP1.95
Rot. Bonds2

About 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol

2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol (PubChem CID 59090152) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol.

Molecular Properties

Compound Name2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
PubChem CID59090152
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol
SMILESNc1ccc2c(c1)CCCN2CCS
InChIInChI=1S/C11H16N2S/c12-10-3-4-11-9(8-10)2-1-5-13(11)6-7-14/h3-4,8,14H,1-2,5-7,12H2
InChIKeyZNMLQKPOMKCZJB-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylbutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957573
6-(6-amino-3,4-dihydro-2H-quinolin-1-yl)hexan-1-ol
CID 107704010
1-(4,4,4-trifluorobutyl)-3,4-dihydro-2H-quinolin-6-amine
CID 113326478
1-(3-methylbut-3-enyl)-3,4-dihydro-2H-quinolin-6-amine
CID 114473358
1-(2-propan-2-yloxyethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 54957754
1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-amine
CID 55108489
1-(3-imidazol-1-ylpropyl)-3,4-dihydro-2H-quinolin-6-amine
CID 61493158
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopropyl-N-methylacetamide
CID 61489538
6-amino-1-(2-sulfanylethyl)-3,4-dihydroquinolin-2-one
CID 115223654
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
1-(2,2-difluoroethyl)-2,3-dihydroindol-5-amine
CID 60923081

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol?
The IUPAC name of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol (CID 59090152) is 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol.
What is the SMILES notation for 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol?
The canonical SMILES for 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol is Nc1ccc2c(c1)CCCN2CCS.
What is the InChIKey of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol?
The InChIKey is ZNMLQKPOMKCZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c12-10-3-4-11-9(8-10)2-1-5-13(11)6-7-14/h3-4,8,14H,1-2,5-7,12H2.
What are the key properties of 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol?
2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol has a molecular weight of 208.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)ethanethiol is sourced from PubChem (CID 59090152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).