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

C16H25NO2S — CID 107758491

IUPACN-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCS(=O)(=O)C1CCc2ccccc2C1NC
InChIInChI=1S/C16H25NO2S/c1-3-4-7-12-20(18,19)15-11-10-13-8-5-6-9-14(13)16(15)17-2/h5-6,8-9,15-17H,3-4,7,10-12H2,1-2H3
InChIKeyJFTROXHLSXHLIA-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.87
Rot. Bonds6

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

N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 107758491) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID107758491
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCCCS(=O)(=O)C1CCc2ccccc2C1NC
InChIInChI=1S/C16H25NO2S/c1-3-4-7-12-20(18,19)15-11-10-13-8-5-6-9-14(13)16(15)17-2/h5-6,8-9,15-17H,3-4,7,10-12H2,1-2H3
InChIKeyJFTROXHLSXHLIA-UHFFFAOYSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(2-methylpropylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646813
N-methyl-2-(2-methylbutylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107759610
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
N-methyl-2-propan-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64676003
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
N-methyl-2-(2-methylpropylsulfonyl)-2,3-dihydro-1H-inden-1-amine
CID 64646020
N-methyl-6-(2-propylsulfonylethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106727212
N-methyl-6-(3-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63191536
N-ethyl-3-pentylsulfonyl-3,4-dihydro-2H-chromen-4-amine
CID 107758627
2-N-[3-(dimethylamino)propyl]-2-N-ethyl-1-N-methyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 102992408
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
N-ethyl-2-thiophen-2-ylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64645604

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 107758491) is N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCCCS(=O)(=O)C1CCc2ccccc2C1NC.
What is the InChIKey of N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JFTROXHLSXHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-4-7-12-20(18,19)15-11-10-13-8-5-6-9-14(13)16(15)17-2/h5-6,8-9,15-17H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pentylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 107758491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).