N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide

C10H22N2O4S — CID 163400228

IUPACN-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide
SMILESCSNCCOCCOCCOCCNC=O
InChIInChI=1S/C10H22N2O4S/c1-17-12-3-5-15-7-9-16-8-6-14-4-2-11-10-13/h10,12H,2-9H2,1H3,(H,11,13)
InChIKeyODFVFUUHRZIUDF-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.35
Rot. Bonds14

About N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide

N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide (PubChem CID 163400228) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide
PubChem CID163400228
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC NameN-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide
SMILESCSNCCOCCOCCOCCNC=O
InChIInChI=1S/C10H22N2O4S/c1-17-12-3-5-15-7-9-16-8-6-14-4-2-11-10-13/h10,12H,2-9H2,1H3,(H,11,13)
InChIKeyODFVFUUHRZIUDF-UHFFFAOYSA-N
XLogP-0.35
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
N-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 145233036
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]ethoxy]ethyl]formamide
CID 156794668
N-[2-[2-(2-oxoethylamino)ethoxy]ethyl]formamide
CID 156882800
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
N-(2-prop-2-enoxyethyl)formamide
CID 126975868
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]formamide
CID 90113006
N-[2-[2-[2-(propan-2-ylamino)ethylamino]ethoxy]ethyl]formamide
CID 142623198
N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
N-[2-[2-[2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethoxy]ethoxy]ethyl]formamide
CID 142403236
tert-butyl 3-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]propanoate
CID 166149013

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide (CID 163400228) is N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide is CSNCCOCCOCCOCCNC=O.
What is the InChIKey of N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide?
The InChIKey is ODFVFUUHRZIUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-17-12-3-5-15-7-9-16-8-6-14-4-2-11-10-13/h10,12H,2-9H2,1H3,(H,11,13).
What are the key properties of N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide?
N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide has a molecular weight of 266.36 g/mol, XLogP of -0.35, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(methylsulfanylamino)ethoxy]ethoxy]ethoxy]ethyl]formamide is sourced from PubChem (CID 163400228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).