2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine

C8H19NO3S — CID 81187492

IUPAC2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine
SMILESCOCCOCCS(=O)C(C)CN
InChIInChI=1S/C8H19NO3S/c1-8(7-9)13(10)6-5-12-4-3-11-2/h8H,3-7,9H2,1-2H3
InChIKeyYMWNEJBBIAQPOE-UHFFFAOYSA-N
MW209.31 g/mol
LogP-0.25
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine

2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine (PubChem CID 81187492) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine
PubChem CID81187492
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC Name2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine
SMILESCOCCOCCS(=O)C(C)CN
InChIInChI=1S/C8H19NO3S/c1-8(7-9)13(10)6-5-12-4-3-11-2/h8H,3-7,9H2,1-2H3
InChIKeyYMWNEJBBIAQPOE-UHFFFAOYSA-N
XLogP-0.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine
CID 81195475
3-(2-methoxyethylsulfinyl)butanoic acid
CID 61301794
3-(3-methoxypropylsulfinyl)butan-1-amine
CID 81193382
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethanamine
CID 129172624
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
2-pentylsulfinylpropan-1-amine
CID 81186667
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
2-nonylsulfinylpropan-1-amine
CID 81187131
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]ethanol
CID 158833694
2-heptylsulfinylpropan-1-amine
CID 81186656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine (CID 81187492) is 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine is COCCOCCS(=O)C(C)CN.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine?
The InChIKey is YMWNEJBBIAQPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-8(7-9)13(10)6-5-12-4-3-11-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine?
2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine has a molecular weight of 209.31 g/mol, XLogP of -0.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine is sourced from PubChem (CID 81187492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).