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

C16H25NO2S — CID 107759610

IUPACN-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)CS(=O)(=O)C1CCc2ccccc2C1NC
InChIInChI=1S/C16H25NO2S/c1-4-12(2)11-20(18,19)15-10-9-13-7-5-6-8-14(13)16(15)17-3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyBYPYWZYAHBJRHE-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.72
Rot. Bonds5

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

N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107759610) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107759610
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCC(C)CS(=O)(=O)C1CCc2ccccc2C1NC
InChIInChI=1S/C16H25NO2S/c1-4-12(2)11-20(18,19)15-10-9-13-7-5-6-8-14(13)16(15)17-3/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyBYPYWZYAHBJRHE-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646813
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758491
N-methyl-2-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64676003
N,4-dimethyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759768
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64646020
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884
(1S,2R)-1-(2-methylsulfonylpropylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 154807752
(1R)-N-[(2S)-2-methylbutyl]sulfonyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 99714701
N-methyl-6-(2-propylsulfonylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106727212

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107759610) is N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCC(C)CS(=O)(=O)C1CCc2ccccc2C1NC.
What is the InChIKey of N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BYPYWZYAHBJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-4-12(2)11-20(18,19)15-10-9-13-7-5-6-8-14(13)16(15)17-3/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107759610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).