2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride

C8H20Cl2N2O3S — CID 23187663

IUPAC2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride
SMILESCCSNCC(=O)OCCOCCN.Cl.Cl
InChIInChI=1S/C8H18N2O3S.2ClH/c1-2-14-10-7-8(11)13-6-5-12-4-3-9;;/h10H,2-7,9H2,1H3;2*1H
InChIKeyGGEPBLLXZJRACO-UHFFFAOYSA-N
MW295.23 g/mol
LogP0.61
Rot. Bonds9

About 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride

2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride (PubChem CID 23187663) has the molecular formula C8H20Cl2N2O3S and a molecular weight of 295.23 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride
PubChem CID23187663
Molecular FormulaC8H20Cl2N2O3S
Molecular Weight295.23 g/mol
Exact Mass294.06
IUPAC Name2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride
SMILESCCSNCC(=O)OCCOCCN.Cl.Cl
InChIInChI=1S/C8H18N2O3S.2ClH/c1-2-14-10-7-8(11)13-6-5-12-4-3-9;;/h10H,2-7,9H2,1H3;2*1H
InChIKeyGGEPBLLXZJRACO-UHFFFAOYSA-N
XLogP0.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 50.61
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-aminoethyl 2-(ethylsulfanylamino)acetate;dihydrochloride
CID 23187581
5-aminopentyl 2-(ethylsulfanylamino)acetate;dihydrochloride
CID 23187614
2-(2-aminoethoxy)ethyl 2-(methylsulfanylamino)acetate
CID 23187593
methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
CID 172915982
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
2-propoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79258201
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
2-aminoethyl 2-(methylamino)acetate
CID 174621897
bis[2-(2-ethoxyethoxy)ethyl] propanedioate
CID 164851647
2-(2-methoxyethoxy)ethyl 2-(methylamino)acetate
CID 104563542
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl carbamate
CID 118597467
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride?
The IUPAC name of 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride (CID 23187663) is 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride?
The canonical SMILES for 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride is CCSNCC(=O)OCCOCCN.Cl.Cl.
What is the InChIKey of 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride?
The InChIKey is GGEPBLLXZJRACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S.2ClH/c1-2-14-10-7-8(11)13-6-5-12-4-3-9;;/h10H,2-7,9H2,1H3;2*1H.
What are the key properties of 2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride?
2-(2-aminoethoxy)ethyl 2-(ethylsulfanylamino)acetate;dihydrochloride has a molecular weight of 295.23 g/mol, XLogP of 0.61, 9 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-(ethylsulfanylamino)acetate;dihydrochloride is sourced from PubChem (CID 23187663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).