2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine

C15H23NO2S — CID 106734152

IUPAC2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)S(=O)(=O)CCC1(N)CCc2ccccc2C1
InChIInChI=1S/C15H23NO2S/c1-12(2)19(17,18)10-9-15(16)8-7-13-5-3-4-6-14(13)11-15/h3-6,12H,7-11,16H2,1-2H3
InChIKeyWVEIVNXHUSGKOP-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.09
Rot. Bonds4

About 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine

2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 106734152) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID106734152
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC Name2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCC(C)S(=O)(=O)CCC1(N)CCc2ccccc2C1
InChIInChI=1S/C15H23NO2S/c1-12(2)19(17,18)10-9-15(16)8-7-13-5-3-4-6-14(13)11-15/h3-6,12H,7-11,16H2,1-2H3
InChIKeyWVEIVNXHUSGKOP-UHFFFAOYSA-N
XLogP2.09
TPSA60.16 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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-7-(2-propylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57467371
3-[(5-Fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 105375903
3-[(4-Fluoro-2-methylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 114349776
5-Ethylsulfonyl-1-(2-fluorophenyl)-2-methylpentan-2-amine
CID 114833639
1-(2-Fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine
CID 114833674
5-Ethylsulfonyl-1-(4-fluorophenyl)-2-methylpentan-2-amine
CID 114833860
1-(4-Fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine
CID 114833893
5-Ethylsulfonyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114834078
1-(3-Fluorophenyl)-2-(3-methylsulfonylcyclohexyl)propan-2-amine
CID 114834112
2-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 116627857
1,1-Dioxo-4-[[2-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 124927475
4-Amino-4-{[2-(trifluoromethyl)phenyl]methyl}-1lambda(6)-thiane-1,1-dione hydroc
CID 131637578

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 106734152) is 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine is CC(C)S(=O)(=O)CCC1(N)CCc2ccccc2C1.
What is the InChIKey of 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is WVEIVNXHUSGKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)19(17,18)10-9-15(16)8-7-13-5-3-4-6-14(13)11-15/h3-6,12H,7-11,16H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 281.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfonylethyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 106734152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).