N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

C15H23NO2S — CID 104518447

IUPACN-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESCNC(c1ccc2c(c1)CCCC2)C(C)S(C)(=O)=O
InChIInChI=1S/C15H23NO2S/c1-11(19(3,17)18)15(16-2)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,15-16H,4-7H2,1-3H3
InChIKeyOQZXGBVYWXZIRS-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine

N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (PubChem CID 104518447) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
PubChem CID104518447
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
SMILESCNC(c1ccc2c(c1)CCCC2)C(C)S(C)(=O)=O
InChIInChI=1S/C15H23NO2S/c1-11(19(3,17)18)15(16-2)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,15-16H,4-7H2,1-3H3
InChIKeyOQZXGBVYWXZIRS-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
N-methyl-2-propyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-amine
CID 82985313
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylpentan-1-amine
CID 43485099
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
1-(2,3-dihydro-1H-inden-5-yl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116960337
1-(2,3-dihydro-1H-inden-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949561
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
2-(methylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 116961596
N-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 82123649
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine (CID 104518447) is N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is CNC(c1ccc2c(c1)CCCC2)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
The InChIKey is OQZXGBVYWXZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-11(19(3,17)18)15(16-2)14-9-8-12-6-4-5-7-13(12)10-14/h8-11,15-16H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine?
N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine is sourced from PubChem (CID 104518447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).