2-(2-ethylsulfonylethoxy)ethanamine

C6H15NO3S — CID 62343611

IUPAC2-(2-ethylsulfonylethoxy)ethanamine
SMILESCCS(=O)(=O)CCOCCN
InChIInChI=1S/C6H15NO3S/c1-2-11(8,9)6-5-10-4-3-7/h2-7H2,1H3
InChIKeySHMVINUFRONXLX-UHFFFAOYSA-N
MW181.26 g/mol
LogP-0.60
Rot. Bonds6

About 2-(2-ethylsulfonylethoxy)ethanamine

2-(2-ethylsulfonylethoxy)ethanamine (PubChem CID 62343611) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-ethylsulfonylethoxy)ethanamine
PubChem CID62343611
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC Name2-(2-ethylsulfonylethoxy)ethanamine
SMILESCCS(=O)(=O)CCOCCN
InChIInChI=1S/C6H15NO3S/c1-2-11(8,9)6-5-10-4-3-7/h2-7H2,1H3
InChIKeySHMVINUFRONXLX-UHFFFAOYSA-N
XLogP-0.60
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.60
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-ethoxyethylsulfonyl)ethanamine
CID 58684809
3-(2-ethylsulfonylethoxymethyl)pentan-3-amine
CID 64572287
ethane-1,2-diamine;1-ethylsulfonylethane
CID 88712876
2-[2-[ethyl(2-propylsulfonylethyl)amino]ethoxy]ethanamine
CID 114263820
2-[2-[(4-propan-2-ylphenyl)methylsulfonyl]ethoxy]ethanamine
CID 82181159
1-[2-[2-(2-butylsulfonylethoxy)ethoxy]ethylsulfonyl]butane
CID 58676689
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]ethoxy]ethanamine
CID 82181181
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-[2-(ethylsulfamoylamino)ethoxy]ethanamine
CID 114812763
2-(2-ethylsulfonylethoxy)-2-methylpropan-1-amine
CID 65053389
2-(2-aminoethoxy)-N-[(1-propylcyclopropyl)methyl]ethanesulfonamide
CID 112751637
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethoxy)ethanamine?
The IUPAC name of 2-(2-ethylsulfonylethoxy)ethanamine (CID 62343611) is 2-(2-ethylsulfonylethoxy)ethanamine.
What is the SMILES notation for 2-(2-ethylsulfonylethoxy)ethanamine?
The canonical SMILES for 2-(2-ethylsulfonylethoxy)ethanamine is CCS(=O)(=O)CCOCCN.
What is the InChIKey of 2-(2-ethylsulfonylethoxy)ethanamine?
The InChIKey is SHMVINUFRONXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-2-11(8,9)6-5-10-4-3-7/h2-7H2,1H3.
What are the key properties of 2-(2-ethylsulfonylethoxy)ethanamine?
2-(2-ethylsulfonylethoxy)ethanamine has a molecular weight of 181.26 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethoxy)ethanamine is sourced from PubChem (CID 62343611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).