(1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C29H36N2O2S — CID 59678158

IUPAC(1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1cccc(CC)c1-c1cc(S(C)(=O)=O)c(CN(C)[C@H]2CCCc3ccccc32)c(C)n1
InChIInChI=1S/C29H36N2O2S/c1-6-21-13-10-14-22(7-2)29(21)26-18-28(34(5,32)33)25(20(3)30-26)19-31(4)27-17-11-15-23-12-8-9-16-24(23)27/h8-10,12-14,16,18,27H,6-7,11,15,17,19H2,1-5H3/t27-/m0/s1
InChIKeyMWEWIZPJWRVYLZ-MHZLTWQESA-N
MW476.69 g/mol
LogP6.09
Rot. Bonds7

About (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 59678158) has the molecular formula C29H36N2O2S and a molecular weight of 476.69 g/mol. Its IUPAC name is (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID59678158
Molecular FormulaC29H36N2O2S
Molecular Weight476.69 g/mol
Exact Mass476.25
IUPAC Name(1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCc1cccc(CC)c1-c1cc(S(C)(=O)=O)c(CN(C)[C@H]2CCCc3ccccc32)c(C)n1
InChIInChI=1S/C29H36N2O2S/c1-6-21-13-10-14-22(7-2)29(21)26-18-28(34(5,32)33)25(20(3)30-26)19-31(4)27-17-11-15-23-12-8-9-16-24(23)27/h8-10,12-14,16,18,27H,6-7,11,15,17,19H2,1-5H3/t27-/m0/s1
InChIKeyMWEWIZPJWRVYLZ-MHZLTWQESA-N
XLogP6.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.69
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 66993792
6-(2,6-diethylphenyl)-4-ethyl-N-methyl-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridin-2-amine
CID 59678153
6-(2,6-diethylphenyl)-4-(hydroxymethyl)-3-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyridine-2-carbonitrile
CID 67208844
(1R)-N-[[2-(2,6-diethylphenyl)-4-methyl-6-pyrazol-1-ylpyrimidin-5-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 66589600
(2S)-1-[2-(2,6-diethylphenyl)-6-methyl-5-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 91026196
(1S)-N-[[3-butyl-5-chloro-2-(2,6-diethylphenyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 58818011
1-[2-[4-cyclopentyloxy-6-methyl-5-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-2-pyridinyl]-6-fluorophenyl]propan-1-ol
CID 59678054
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
6,7-dimethyl-4-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]chromen-2-one
CID 9260416
(1S)-N-[(3-bromo-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 143518647
N-methyl-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 42896930
N,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-sulfonamide
CID 60958622

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 59678158) is (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCc1cccc(CC)c1-c1cc(S(C)(=O)=O)c(CN(C)[C@H]2CCCc3ccccc32)c(C)n1.
What is the InChIKey of (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MWEWIZPJWRVYLZ-MHZLTWQESA-N. The full InChI is InChI=1S/C29H36N2O2S/c1-6-21-13-10-14-22(7-2)29(21)26-18-28(34(5,32)33)25(20(3)30-26)19-31(4)27-17-11-15-23-12-8-9-16-24(23)27/h8-10,12-14,16,18,27H,6-7,11,15,17,19H2,1-5H3/t27-/m0/s1.
What are the key properties of (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 476.69 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[6-(2,6-diethylphenyl)-2-methyl-4-methylsulfonyl-3-pyridinyl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 59678158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).