N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C16H25NO2S — CID 47540985

IUPACN-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCS(C)(=O)=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H25NO2S/c1-3-10-17(11-12-20(2,18)19)16-9-8-14-6-4-5-7-15(14)13-16/h4-7,16H,3,8-13H2,1-2H3
InChIKeyHQINWJUDPLGRDC-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.30
Rot. Bonds6

About N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 47540985) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID47540985
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCS(C)(=O)=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H25NO2S/c1-3-10-17(11-12-20(2,18)19)16-9-8-14-6-4-5-7-15(14)13-16/h4-7,16H,3,8-13H2,1-2H3
InChIKeyHQINWJUDPLGRDC-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanenitrile
CID 47540982
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
4-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]butanenitrile
CID 95172612
2-[2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethoxy]ethanol
CID 111332758
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
1-(azepan-1-yl)-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethanone
CID 60585166
2-[2-[diethyl(methyl)azaniumyl]ethyl-(1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl-diethyl-methylazanium diiodide
CID 24833666
(6R)-6-N,6-N-dipropyl-5,6,7,8-tetrahydronaphthalene-1,6-diamine;dihydrochloride
CID 18650733
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 6603866
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076
6-chloro-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 91826447
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-2-ol bromide
CID 51371143

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 47540985) is N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCS(C)(=O)=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HQINWJUDPLGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-10-17(11-12-20(2,18)19)16-9-8-14-6-4-5-7-15(14)13-16/h4-7,16H,3,8-13H2,1-2H3.
What are the key properties of N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 295.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 47540985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).