2-(4-methoxybutylsulfinyl)ethanamine

C7H17NO2S — CID 104650978

IUPAC2-(4-methoxybutylsulfinyl)ethanamine
SMILESCOCCCCS(=O)CCN
InChIInChI=1S/C7H17NO2S/c1-10-5-2-3-6-11(9)7-4-8/h2-8H2,1H3
InChIKeyJZMFYRVEDDBCOX-UHFFFAOYSA-N
MW179.28 g/mol
LogP0.12
Rot. Bonds7

About 2-(4-methoxybutylsulfinyl)ethanamine

2-(4-methoxybutylsulfinyl)ethanamine (PubChem CID 104650978) has the molecular formula C7H17NO2S and a molecular weight of 179.28 g/mol. Its IUPAC name is 2-(4-methoxybutylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxybutylsulfinyl)ethanamine
PubChem CID104650978
Molecular FormulaC7H17NO2S
Molecular Weight179.28 g/mol
Exact Mass179.10
IUPAC Name2-(4-methoxybutylsulfinyl)ethanamine
SMILESCOCCCCS(=O)CCN
InChIInChI=1S/C7H17NO2S/c1-10-5-2-3-6-11(9)7-4-8/h2-8H2,1H3
InChIKeyJZMFYRVEDDBCOX-UHFFFAOYSA-N
XLogP0.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.28
LogP ≤ 50.12
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

1-(4-methoxybutylsulfinyl)butan-2-amine
CID 104651021
5-(3-methoxypropylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81333066
5-(2-methoxyethylsulfinyl)-2,2-dimethylpentan-1-amine
CID 81328261
4-(3-methoxypropylsulfinyl)butan-2-one
CID 64637023
methane;7-methoxyheptan-1-amine
CID 160693233
3-(3-methoxypropylsulfinyl)butan-1-amine
CID 81193382
1-ethoxy-4-(4-ethoxybutylsulfinyl)butane
CID 170104267
azane;3-methoxypropan-1-amine
CID 172866087
6-methoxyhexan-1-amine;molecular hydrogen
CID 142390848
6-(2-aminoethylsulfinyl)-2,2-dimethylhexanenitrile
CID 106714842
N-(2-methoxyethyl)-3-(2-methoxyethylsulfinyl)propan-1-amine
CID 64652701
3-[(R)-propylsulfinyl]propan-1-amine
CID 88509307

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutylsulfinyl)ethanamine?
The IUPAC name of 2-(4-methoxybutylsulfinyl)ethanamine (CID 104650978) is 2-(4-methoxybutylsulfinyl)ethanamine.
What is the SMILES notation for 2-(4-methoxybutylsulfinyl)ethanamine?
The canonical SMILES for 2-(4-methoxybutylsulfinyl)ethanamine is COCCCCS(=O)CCN.
What is the InChIKey of 2-(4-methoxybutylsulfinyl)ethanamine?
The InChIKey is JZMFYRVEDDBCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2S/c1-10-5-2-3-6-11(9)7-4-8/h2-8H2,1H3.
What are the key properties of 2-(4-methoxybutylsulfinyl)ethanamine?
2-(4-methoxybutylsulfinyl)ethanamine has a molecular weight of 179.28 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutylsulfinyl)ethanamine is sourced from PubChem (CID 104650978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).