N-(2-methoxyethoxy)thiolan-3-amine

C7H15NO2S — CID 82711045

IUPACN-(2-methoxyethoxy)thiolan-3-amine
SMILESCOCCONC1CCSC1
InChIInChI=1S/C7H15NO2S/c1-9-3-4-10-8-7-2-5-11-6-7/h7-8H,2-6H2,1H3
InChIKeyCVADEUCJQDGRKF-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.66
Rot. Bonds5

About N-(2-methoxyethoxy)thiolan-3-amine

N-(2-methoxyethoxy)thiolan-3-amine (PubChem CID 82711045) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is N-(2-methoxyethoxy)thiolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)thiolan-3-amine
PubChem CID82711045
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC NameN-(2-methoxyethoxy)thiolan-3-amine
SMILESCOCCONC1CCSC1
InChIInChI=1S/C7H15NO2S/c1-9-3-4-10-8-7-2-5-11-6-7/h7-8H,2-6H2,1H3
InChIKeyCVADEUCJQDGRKF-UHFFFAOYSA-N
XLogP0.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.66
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)thiolan-3-amine?
The IUPAC name of N-(2-methoxyethoxy)thiolan-3-amine (CID 82711045) is N-(2-methoxyethoxy)thiolan-3-amine.
What is the SMILES notation for N-(2-methoxyethoxy)thiolan-3-amine?
The canonical SMILES for N-(2-methoxyethoxy)thiolan-3-amine is COCCONC1CCSC1.
What is the InChIKey of N-(2-methoxyethoxy)thiolan-3-amine?
The InChIKey is CVADEUCJQDGRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-9-3-4-10-8-7-2-5-11-6-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(2-methoxyethoxy)thiolan-3-amine?
N-(2-methoxyethoxy)thiolan-3-amine has a molecular weight of 177.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)thiolan-3-amine is sourced from PubChem (CID 82711045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).