N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide

C9H20N2O3S — CID 166946896

IUPACN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide
SMILESNCCOCCOCCOCCNC=S
InChIInChI=1S/C9H20N2O3S/c10-1-3-12-5-7-14-8-6-13-4-2-11-9-15/h9H,1-8,10H2,(H,11,15)
InChIKeyJEMUNKPCIJXOGP-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.46
Rot. Bonds12

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide (PubChem CID 166946896) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide
PubChem CID166946896
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide
SMILESNCCOCCOCCOCCNC=S
InChIInChI=1S/C9H20N2O3S/c10-1-3-12-5-7-14-8-6-13-4-2-11-9-15/h9H,1-8,10H2,(H,11,15)
InChIKeyJEMUNKPCIJXOGP-UHFFFAOYSA-N
XLogP-0.46
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
2-[2-[2-(2-aminoethoxy)ethylamino]ethoxy]ethanamine
CID 15792937
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 58904017
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanamine
CID 156719251
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 145435287
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
CID 155457194
2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 88921275
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide (CID 166946896) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide is NCCOCCOCCOCCNC=S.
What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide?
The InChIKey is JEMUNKPCIJXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-1-3-12-5-7-14-8-6-13-4-2-11-9-15/h9H,1-8,10H2,(H,11,15).
What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide?
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide has a molecular weight of 236.34 g/mol, XLogP of -0.46, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]methanethioamide is sourced from PubChem (CID 166946896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).