6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H23NO3S — CID 64654435

IUPAC6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(S(=O)C1CCOCC1)C2N
InChIInChI=1S/C16H23NO3S/c1-19-12-3-4-14-11(10-12)2-5-15(16(14)17)21(18)13-6-8-20-9-7-13/h3-4,10,13,15-16H,2,5-9,17H2,1H3
InChIKeyOUONOCQVVQQVAS-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.94
Rot. Bonds3

About 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64654435) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64654435
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(S(=O)C1CCOCC1)C2N
InChIInChI=1S/C16H23NO3S/c1-19-12-3-4-14-11(10-12)2-5-15(16(14)17)21(18)13-6-8-20-9-7-13/h3-4,10,13,15-16H,2,5-9,17H2,1H3
InChIKeyOUONOCQVVQQVAS-UHFFFAOYSA-N
XLogP1.94
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656390
2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64652727
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
8-methoxy-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
CID 170899412
6-methoxy-2-(2-methyloxolan-3-yl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 107758435
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
6-methoxy-2-(oxan-4-ylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 79369074
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64654435) is 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(S(=O)C1CCOCC1)C2N.
What is the InChIKey of 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OUONOCQVVQQVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-19-12-3-4-14-11(10-12)2-5-15(16(14)17)21(18)13-6-8-20-9-7-13/h3-4,10,13,15-16H,2,5-9,17H2,1H3.
What are the key properties of 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 309.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64654435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).