N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C15H23NO2S — CID 106722965

IUPACN-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(C)S(=O)(=O)CCNc1cccc2c1CCCC2
InChIInChI=1S/C15H23NO2S/c1-12(2)19(17,18)11-10-16-15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3
InChIKeyGQZNLIZYXPBMDJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.80
Rot. Bonds5

About N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine

N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 106722965) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID106722965
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(C)S(=O)(=O)CCNc1cccc2c1CCCC2
InChIInChI=1S/C15H23NO2S/c1-12(2)19(17,18)11-10-16-15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3
InChIKeyGQZNLIZYXPBMDJ-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Naphthyl(4-nitro-1,1-dioxido-2,5-dihydro-3-thienyl)amine
CID 794280
1-(2,3-Dimethylphenyl)-4-ethylsulfonylpiperazine
CID 2171776
N-[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
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N-(2-methylphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2997953
N-[5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanesulfonamide
CID 11173600
3-chloro-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
CID 118724840
N-[2-(naphthalen-1-ylamino)ethyl]-3-(1-phenylethylamino)propane-1-sulfonamide;hydrochloride
CID 118724847
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CID 16218738
4,1-Benzothiazepine, 1,2,3,5-tetrahydro-, 4,4-dioxide
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CID 121552311
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CID 44573168
N-(3-cyclopentylpropyl)-2-methyl-3-(methylsulfonylmethyl)aniline
CID 71855531

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 106722965) is N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is CC(C)S(=O)(=O)CCNc1cccc2c1CCCC2.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is GQZNLIZYXPBMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-12(2)19(17,18)11-10-16-15-9-5-7-13-6-3-4-8-14(13)15/h5,7,9,12,16H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 281.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106722965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).