(4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine

C10H14N2S — CID 130741238

IUPAC(4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCSc1ccc2c(c1)[C@H](N)CCN2
InChIInChI=1S/C10H14N2S/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5,11H2,1H3/t9-/m1/s1
InChIKeyIYBZTDVYXFKXOS-SECBINFHSA-N
MW194.30 g/mol
LogP2.22
Rot. Bonds1

About (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine

(4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 130741238) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID130741238
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name(4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCSc1ccc2c(c1)[C@H](N)CCN2
InChIInChI=1S/C10H14N2S/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5,11H2,1H3/t9-/m1/s1
InChIKeyIYBZTDVYXFKXOS-SECBINFHSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-1,2,3,4-tetrahydroquinolin-6-ol
CID 118989908
6-ethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275588
6-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275604
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
6,7-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275649
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
(1R)-5-methylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 55293922
7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594245
(4S)-7-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 95240605
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
4-amino-7-methylsulfanyl-3,4-dihydro-2H-naphthalen-1-one
CID 130040409
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460978

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 130741238) is (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine is CSc1ccc2c(c1)[C@H](N)CCN2.
What is the InChIKey of (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is IYBZTDVYXFKXOS-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2S/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5,11H2,1H3/t9-/m1/s1.
What are the key properties of (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine?
(4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 194.30 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methylsulfanyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 130741238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).