4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine

C9H21NO3S — CID 81195475

IUPAC4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine
SMILESCOCCOCCS(=O)CCC(C)N
InChIInChI=1S/C9H21NO3S/c1-9(10)3-7-14(11)8-6-13-5-4-12-2/h9H,3-8,10H2,1-2H3
InChIKeyPEOWGHZIRALGNH-UHFFFAOYSA-N
MW223.34 g/mol
LogP0.14
Rot. Bonds9

About 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine

4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine (PubChem CID 81195475) has the molecular formula C9H21NO3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine
PubChem CID81195475
Molecular FormulaC9H21NO3S
Molecular Weight223.34 g/mol
Exact Mass223.12
IUPAC Name4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine
SMILESCOCCOCCS(=O)CCC(C)N
InChIInChI=1S/C9H21NO3S/c1-9(10)3-7-14(11)8-6-13-5-4-12-2/h9H,3-8,10H2,1-2H3
InChIKeyPEOWGHZIRALGNH-UHFFFAOYSA-N
XLogP0.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 50.14
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

2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]ethanol
CID 158833694
2-[2-(2-methoxyethoxy)ethylsulfinyl]propan-1-amine
CID 81187492
4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine
CID 81194023
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211
2-(3-aminobutylsulfinyl)-N-(3-methoxypropyl)propanamide
CID 81193999
1-[3-(2-methoxyethoxy)propylsulfinyl]butan-2-amine
CID 103416100
2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
CID 103178676
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989
2-[2-(2-methoxyethoxy)ethoxy]ethyl (2R)-2-amino-4-hydroxybutanoate
CID 114005284
2-(2-methoxyethoxy)ethyl (2R)-2-amino-4-hydroxybutanoate
CID 107825427
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine (CID 81195475) is 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine is COCCOCCS(=O)CCC(C)N.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine?
The InChIKey is PEOWGHZIRALGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO3S/c1-9(10)3-7-14(11)8-6-13-5-4-12-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine?
4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine has a molecular weight of 223.34 g/mol, XLogP of 0.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine is sourced from PubChem (CID 81195475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).