2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate

C7H16N2O3S — CID 23187593

IUPAC2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate
SMILESCSNCC(=O)OCCOCCN
InChIInChI=1S/C7H16N2O3S/c1-13-9-6-7(10)12-5-4-11-3-2-8/h9H,2-6,8H2,1H3
InChIKeyFGWDJUWODNYCPK-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.63
Rot. Bonds8

About 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate

2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate (PubChem CID 23187593) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate
PubChem CID23187593
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate
SMILESCSNCC(=O)OCCOCCN
InChIInChI=1S/C7H16N2O3S/c1-13-9-6-7(10)12-5-4-11-3-2-8/h9H,2-6,8H2,1H3
InChIKeyFGWDJUWODNYCPK-UHFFFAOYSA-N
XLogP-0.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride
CID 23187663
methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 100910535
methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 172915982
2-aminoethyl 2-(ethylsulfanylamino)acetate;dihydrochloride
CID 23187581
2-aminoethyl 2-(methylamino)acetate
CID 174621897
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
5-aminopentyl 2-(ethylsulfanylamino)acetate;dihydrochloride
CID 23187614
2-(2-aminoethoxy)ethyl 2-thionitrosoacetate
CID 19373954
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303
2-[2-[2-(3-methylsulfanylpropanoyloxy)ethoxy]ethoxy]ethyl 3-methylsulfanylpropanoate
CID 172537073
S-methyl N-[2-(2-aminoethoxy)ethyl]carbamothioate
CID 139475977

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate?
The IUPAC name of 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate (CID 23187593) is 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate?
The canonical SMILES for 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate is CSNCC(=O)OCCOCCN.
What is the InChIKey of 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate?
The InChIKey is FGWDJUWODNYCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-13-9-6-7(10)12-5-4-11-3-2-8/h9H,2-6,8H2,1H3.
What are the key properties of 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate?
2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate has a molecular weight of 208.28 g/mol, XLogP of -0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate is sourced from PubChem (CID 23187593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).