2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23NO2S — CID 64652727

IUPAC2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)S(=O)C1CCc2cc(OC)ccc2C1N
InChIInChI=1S/C15H23NO2S/c1-4-10(2)19(17)14-8-5-11-9-12(18-3)6-7-13(11)15(14)16/h6-7,9-10,14-15H,4-5,8,16H2,1-3H3
InChIKeyXAWZMVRTXLCLNC-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.56
Rot. Bonds4

About 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64652727) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64652727
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)S(=O)C1CCc2cc(OC)ccc2C1N
InChIInChI=1S/C15H23NO2S/c1-4-10(2)19(17)14-8-5-11-9-12(18-3)6-7-13(11)15(14)16/h6-7,9-10,14-15H,4-5,8,16H2,1-3H3
InChIKeyXAWZMVRTXLCLNC-UHFFFAOYSA-N
XLogP2.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-ylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248549
2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656390
6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654435
2-butan-2-ylsulfanyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64612568
6-methoxy-2-N-propan-2-yl-2-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43269499
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
(2S)-2-[(1S)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid;(2R)-2-[(1R)-5-methoxy-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 160877367
1-(6,13-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-ethylpropan-2-amine
CID 83985301
2-ethylsulfinyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368756
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64652727) is 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(C)S(=O)C1CCc2cc(OC)ccc2C1N.
What is the InChIKey of 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is XAWZMVRTXLCLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-10(2)19(17)14-8-5-11-9-12(18-3)6-7-13(11)15(14)16/h6-7,9-10,14-15H,4-5,8,16H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64652727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).