2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NOS — CID 64658553

IUPAC2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)Cc1ccccc1
InChIInChI=1S/C18H21NOS/c1-19-18-16-10-6-5-9-15(16)11-12-17(18)21(20)13-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyZZZJVXUEFWGXBR-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.21
Rot. Bonds4

About 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64658553) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64658553
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1S(=O)Cc1ccccc1
InChIInChI=1S/C18H21NOS/c1-19-18-16-10-6-5-9-15(16)11-12-17(18)21(20)13-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3
InChIKeyZZZJVXUEFWGXBR-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
2-(benzenesulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64659234
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
N-methyl-6-(3-methylbutylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107760436
6-(benzenesulfinyl)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64658647
2-benzylsulfinyl-N-methylcyclopentan-1-amine
CID 64658738
2-(3-bromophenyl)sulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658968
2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
N-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64658553) is 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1S(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ZZZJVXUEFWGXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-19-18-16-10-6-5-9-15(16)11-12-17(18)21(20)13-14-7-3-2-4-8-14/h2-10,17-19H,11-13H2,1H3.
What are the key properties of 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 299.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64658553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).