2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C13H19NO2S — CID 113306113

IUPAC2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCS(=O)(=O)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C13H19NO2S/c1-3-17(15,16)12-8-9(2)10-6-4-5-7-11(10)13(12)14/h4-7,9,12-13H,3,8,14H2,1-2H3
InChIKeyNXBRAZHVDXVHLO-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.00
Rot. Bonds2

About 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 113306113) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID113306113
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCS(=O)(=O)C1CC(C)c2ccccc2C1N
InChIInChI=1S/C13H19NO2S/c1-3-17(15,16)12-8-9(2)10-6-4-5-7-11(10)13(12)14/h4-7,9,12-13H,3,8,14H2,1-2H3
InChIKeyNXBRAZHVDXVHLO-UHFFFAOYSA-N
XLogP2.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-amine
CID 28502914
N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420263
(1-amino-4-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 115420649
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420349
2-butan-2-ylsulfinyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420305
N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759768
2-heptoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419211
[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]methanamine
CID 58681536
2-(3,4-dimethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115419084
2-[2-(diethylamino)ethylsulfanyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420605
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418965

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 113306113) is 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCS(=O)(=O)C1CC(C)c2ccccc2C1N.
What is the InChIKey of 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NXBRAZHVDXVHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-17(15,16)12-8-9(2)10-6-4-5-7-11(10)13(12)14/h4-7,9,12-13H,3,8,14H2,1-2H3.
What are the key properties of 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 253.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 113306113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).