N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H27NO2S — CID 107759768

IUPACN,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)CS(=O)(=O)C1CC(C)c2ccccc2C1NC
InChIInChI=1S/C17H27NO2S/c1-5-12(2)11-21(19,20)16-10-13(3)14-8-6-7-9-15(14)17(16)18-4/h6-9,12-13,16-18H,5,10-11H2,1-4H3
InChIKeyHBIZNOWFHIJEMI-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.28
Rot. Bonds5

About N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107759768) has the molecular formula C17H27NO2S and a molecular weight of 309.48 g/mol. Its IUPAC name is N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107759768
Molecular FormulaC17H27NO2S
Molecular Weight309.48 g/mol
Exact Mass309.18
IUPAC NameN,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)CS(=O)(=O)C1CC(C)c2ccccc2C1NC
InChIInChI=1S/C17H27NO2S/c1-5-12(2)11-21(19,20)16-10-13(3)14-8-6-7-9-15(14)17(16)18-4/h6-9,12-13,16-18H,5,10-11H2,1-4H3
InChIKeyHBIZNOWFHIJEMI-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759610
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64646020
N-ethyl-4-methyl-2-propylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420263
N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646813
2-ethylsulfonyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113306113
N,4-dimethyl-2-propan-2-ylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420335
4-methyl-2-methylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420349
N,4-dimethyl-2-(3-methylbutylsulfanyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107764182
4-methyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759771
2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420303
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758491
2-[[4-methyl-1-(methylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]ethanol
CID 113306152

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107759768) is N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(C)CS(=O)(=O)C1CC(C)c2ccccc2C1NC.
What is the InChIKey of N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is HBIZNOWFHIJEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2S/c1-5-12(2)11-21(19,20)16-10-13(3)14-8-6-7-9-15(14)17(16)18-4/h6-9,12-13,16-18H,5,10-11H2,1-4H3.
What are the key properties of N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 309.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107759768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).