7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C15H23NO3S — CID 115510559

IUPAC7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)CS(C)(=O)=O)CC2
InChIInChI=1S/C15H23NO3S/c1-11(10-20(3,17)18)16-14-6-4-12-5-7-15(19-2)9-13(12)8-14/h5,7,9,11,14,16H,4,6,8,10H2,1-3H3
InChIKeyKIXZPXJWXJQSGS-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.58
Rot. Bonds5

About 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 115510559) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID115510559
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc2c(c1)CC(NC(C)CS(C)(=O)=O)CC2
InChIInChI=1S/C15H23NO3S/c1-11(10-20(3,17)18)16-14-6-4-12-5-7-15(19-2)9-13(12)8-14/h5,7,9,11,14,16H,4,6,8,10H2,1-3H3
InChIKeyKIXZPXJWXJQSGS-UHFFFAOYSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510216
7-methoxy-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510335
7-methoxy-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510447
N-[(1S)-1-cyclohexylethyl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510632
N-[1-(furan-2-yl)propan-2-yl]-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510373
N-[2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]methanesulfonamide
CID 115510319
(2R)-7-methoxy-N-[(2S)-2-[(S)-methylsulfinyl]propyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 97108117
7-methoxy-N-(1-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115901665
7-methoxy-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115510289
N-(2-ethoxypropyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115763357
N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-inden-2-amine
CID 64629774
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 115510559) is 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc2c(c1)CC(NC(C)CS(C)(=O)=O)CC2.
What is the InChIKey of 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KIXZPXJWXJQSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-11(10-20(3,17)18)16-14-6-4-12-5-7-15(19-2)9-13(12)8-14/h5,7,9,11,14,16H,4,6,8,10H2,1-3H3.
What are the key properties of 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 297.42 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-methylsulfonylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 115510559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).