N-(2-methoxyethoxy)thian-4-amine

C8H17NO2S — CID 82712123

IUPACN-(2-methoxyethoxy)thian-4-amine
SMILESCOCCONC1CCSCC1
InChIInChI=1S/C8H17NO2S/c1-10-4-5-11-9-8-2-6-12-7-3-8/h8-9H,2-7H2,1H3
InChIKeyOUZYGTWAEZUHQZ-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.05
Rot. Bonds5

About N-(2-methoxyethoxy)thian-4-amine

N-(2-methoxyethoxy)thian-4-amine (PubChem CID 82712123) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is N-(2-methoxyethoxy)thian-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)thian-4-amine
PubChem CID82712123
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC NameN-(2-methoxyethoxy)thian-4-amine
SMILESCOCCONC1CCSCC1
InChIInChI=1S/C8H17NO2S/c1-10-4-5-11-9-8-2-6-12-7-3-8/h8-9H,2-7H2,1H3
InChIKeyOUZYGTWAEZUHQZ-UHFFFAOYSA-N
XLogP1.05
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-Methoxyethoxy)ethylsulfanyl]propan-2-amine
CID 66219952
1-[2-(2-Methoxyethoxy)ethylsulfanyl]butan-2-amine
CID 66231263
4-[2-(2-Methoxyethoxy)ethylsulfanyl]butan-2-amine
CID 66233031
N-ethoxy-2-methylthian-3-amine
CID 82708925
N-(2-methylpropoxy)thian-4-amine
CID 82709105
N-ethoxythian-3-amine
CID 82709661
N-ethoxythian-4-amine
CID 82709961
N-(2-methoxyethoxy)-4,4-dimethylthian-3-amine
CID 82710921
N-(2-methoxyethoxy)thiolan-3-amine
CID 82711045
N-(2-methoxyethoxy)-1-oxothian-4-amine
CID 82711788
N-(2-methoxyethoxy)-5,5-dimethylthian-3-amine
CID 82711790
N-(2-methylpropoxy)thian-3-amine
CID 82711864

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)thian-4-amine?
The IUPAC name of N-(2-methoxyethoxy)thian-4-amine (CID 82712123) is N-(2-methoxyethoxy)thian-4-amine.
What is the SMILES notation for N-(2-methoxyethoxy)thian-4-amine?
The canonical SMILES for N-(2-methoxyethoxy)thian-4-amine is COCCONC1CCSCC1.
What is the InChIKey of N-(2-methoxyethoxy)thian-4-amine?
The InChIKey is OUZYGTWAEZUHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-10-4-5-11-9-8-2-6-12-7-3-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethoxy)thian-4-amine?
N-(2-methoxyethoxy)thian-4-amine has a molecular weight of 191.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)thian-4-amine is sourced from PubChem (CID 82712123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).