N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C16H25NO2S — CID 64659795

IUPACN-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1S(=O)CCCOC
InChIInChI=1S/C16H25NO2S/c1-3-17-16-14-8-5-4-7-13(14)9-10-15(16)20(18)12-6-11-19-2/h4-5,7-8,15-17H,3,6,9-12H2,1-2H3
InChIKeyFZHSKJCRCRGWDF-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.44
Rot. Bonds7

About N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 64659795) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID64659795
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC NameN-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCNC1c2ccccc2CCC1S(=O)CCCOC
InChIInChI=1S/C16H25NO2S/c1-3-17-16-14-8-5-4-7-13(14)9-10-15(16)20(18)12-6-11-19-2/h4-5,7-8,15-17H,3,6,9-12H2,1-2H3
InChIKeyFZHSKJCRCRGWDF-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-(3-methoxypropylsulfinyl)-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-ethyl-2-methylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656023
N-methyl-2-pentylsulfinyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107758741
6-(3-methoxypropylsulfinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64657442
6-methoxy-2-(3-methoxypropylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658416
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603
2-butylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420327
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 55139716
N-ethyl-2-ethylsulfonyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64646782
2-benzylsulfinyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64658553
N-ethyl-2-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64626278
2-(cyclopentylmethylsulfinyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64656680
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 64659795) is N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine is CCNC1c2ccccc2CCC1S(=O)CCCOC.
What is the InChIKey of N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FZHSKJCRCRGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-17-16-14-8-5-4-7-13(14)9-10-15(16)20(18)12-6-11-19-2/h4-5,7-8,15-17H,3,6,9-12H2,1-2H3.
What are the key properties of N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxypropylsulfinyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 64659795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).