6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

C16H18N2OS — CID 64647734

IUPAC6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccccn1)C2N
InChIInChI=1S/C16H18N2OS/c1-19-12-6-7-13-11(10-12)5-8-14(16(13)17)20-15-4-2-3-9-18-15/h2-4,6-7,9-10,14,16H,5,8,17H2,1H3
InChIKeyAMTMZFSQYPZGKR-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.20
Rot. Bonds3

About 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64647734) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64647734
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(Sc1ccccn1)C2N
InChIInChI=1S/C16H18N2OS/c1-19-12-6-7-13-11(10-12)5-8-14(16(13)17)20-15-4-2-3-9-18-15/h2-4,6-7,9-10,14,16H,5,8,17H2,1H3
InChIKeyAMTMZFSQYPZGKR-UHFFFAOYSA-N
XLogP3.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
6-methoxy-2-(2-methylphenyl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64649458
2-(4-bromophenyl)sulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612644
2-[(5-chloro-2-pyridinyl)sulfanyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236232
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
7-methoxy-2-(4-methylpyrimidin-2-yl)sulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79237114
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
2-(4-fluorophenyl)sulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236126
S-pyridin-2-yl 2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanethioate
CID 58762574
7-methoxy-N-methyl-2-pyrimidin-4-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79236526
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64647734) is 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(Sc1ccccn1)C2N.
What is the InChIKey of 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AMTMZFSQYPZGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-19-12-6-7-13-11(10-12)5-8-14(16(13)17)20-15-4-2-3-9-18-15/h2-4,6-7,9-10,14,16H,5,8,17H2,1H3.
What are the key properties of 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-pyridin-2-ylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64647734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).