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

C9H21NO4S — CID 81194023

IUPAC4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine
SMILESCOCCOCCS(=O)(=O)CCC(C)N
InChIInChI=1S/C9H21NO4S/c1-9(10)3-7-15(11,12)8-6-14-5-4-13-2/h9H,3-8,10H2,1-2H3
InChIKeyWMGMWPRRSATAPI-UHFFFAOYSA-N
MW239.34 g/mol
LogP-0.20
Rot. Bonds9

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

4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine (PubChem CID 81194023) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine
PubChem CID81194023
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC Name4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine
SMILESCOCCOCCS(=O)(=O)CCC(C)N
InChIInChI=1S/C9H21NO4S/c1-9(10)3-7-15(11,12)8-6-14-5-4-13-2/h9H,3-8,10H2,1-2H3
InChIKeyWMGMWPRRSATAPI-UHFFFAOYSA-N
XLogP-0.20
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfonyl]butan-2-amine
CID 104568967
4-(2-ethylsulfonylethylsulfonyl)butan-2-amine
CID 81195480
4-[2-(4-bromophenoxy)ethylsulfonyl]butan-2-amine
CID 81193839
4-[2-(2-methoxyethoxy)ethylsulfinyl]butan-2-amine
CID 81195475
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
4-(fluoromethylsulfonyl)butan-2-amine
CID 84717335
6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
3-[3-(2-methoxyethoxy)propylsulfonyl]-2-methylpropan-1-amine
CID 103416130
2-(3-methoxypropoxy)ethyl 6-amino-2-methylheptanoate
CID 103178676
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]-3-methylbutanoic acid
CID 105354526

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine (CID 81194023) is 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine is COCCOCCS(=O)(=O)CCC(C)N.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine?
The InChIKey is WMGMWPRRSATAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-9(10)3-7-15(11,12)8-6-14-5-4-13-2/h9H,3-8,10H2,1-2H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine?
4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine has a molecular weight of 239.34 g/mol, XLogP of -0.20, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylsulfonyl]butan-2-amine is sourced from PubChem (CID 81194023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).