2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C17H25NO2S — CID 64656390

IUPAC2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(S(=O)C1CCCCC1)C2N
InChIInChI=1S/C17H25NO2S/c1-20-13-8-9-15-12(11-13)7-10-16(17(15)18)21(19)14-5-3-2-4-6-14/h8-9,11,14,16-17H,2-7,10,18H2,1H3
InChIKeyPXOOHZMDPAYXBT-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.09
Rot. Bonds3

About 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64656390) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64656390
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCC(S(=O)C1CCCCC1)C2N
InChIInChI=1S/C17H25NO2S/c1-20-13-8-9-15-12(11-13)7-10-16(17(15)18)21(19)14-5-3-2-4-6-14/h8-9,11,14,16-17H,2-7,10,18H2,1H3
InChIKeyPXOOHZMDPAYXBT-UHFFFAOYSA-N
XLogP3.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-(oxan-4-ylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654435
2-butan-2-ylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64652727
2-(azepan-1-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43184261
6-methoxy-1,2,3,4-tetrahydronaphthalene-1-sulfonamide
CID 115000583
2-(cyclopropylmethoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43211668
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
6-methoxy-2-pentylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107762876
6-methoxy-2-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64619980
2-cyclohexylsulfanyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247855
(5R,7S)-7-amino-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 125495690
2-(3,3-dimethylbutoxy)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66232008
(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-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64656390) is 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCC(S(=O)C1CCCCC1)C2N.
What is the InChIKey of 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is PXOOHZMDPAYXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-20-13-8-9-15-12(11-13)7-10-16(17(15)18)21(19)14-5-3-2-4-6-14/h8-9,11,14,16-17H,2-7,10,18H2,1H3.
What are the key properties of 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 307.46 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfinyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64656390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).