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

C17H19NOS — CID 64659234

IUPAC2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-18-17-15-10-6-5-7-13(15)11-12-16(17)20(19)14-8-3-2-4-9-14/h2-10,16-18H,11-12H2,1H3
InChIKeyAGLFNIHVXNYOPX-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.07
Rot. Bonds3

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

2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64659234) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64659234
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-18-17-15-10-6-5-7-13(15)11-12-16(17)20(19)14-8-3-2-4-9-14/h2-10,16-18H,11-12H2,1H3
InChIKeyAGLFNIHVXNYOPX-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(benzenesulfinyl)-N-methyl-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

6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
6-(cyclopentylmethylsulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64656074
2-(3-chlorophenyl)sulfinyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64657981
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
N-methyl-2-(2-methylphenyl)sulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64655159
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64659234) is 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1S(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is AGLFNIHVXNYOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-18-17-15-10-6-5-7-13(15)11-12-16(17)20(19)14-8-3-2-4-9-14/h2-10,16-18H,11-12H2,1H3.
What are the key properties of 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 285.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64659234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).