N-(2-methoxyethoxy)-1-oxothian-4-amine

C8H17NO3S — CID 82711788

IUPACN-(2-methoxyethoxy)-1-oxothian-4-amine
SMILESCOCCONC1CCS(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-11-4-5-12-9-8-2-6-13(10)7-3-8/h8-9H,2-7H2,1H3
InChIKeyQSRUOSYYPVVFPJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.07
Rot. Bonds5

About N-(2-methoxyethoxy)-1-oxothian-4-amine

N-(2-methoxyethoxy)-1-oxothian-4-amine (PubChem CID 82711788) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-oxothian-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-oxothian-4-amine
PubChem CID82711788
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(2-methoxyethoxy)-1-oxothian-4-amine
SMILESCOCCONC1CCS(=O)CC1
InChIInChI=1S/C8H17NO3S/c1-11-4-5-12-9-8-2-6-13(10)7-3-8/h8-9H,2-7H2,1H3
InChIKeyQSRUOSYYPVVFPJ-UHFFFAOYSA-N
XLogP0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.07
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)-1-oxothian-4-amine?
The IUPAC name of N-(2-methoxyethoxy)-1-oxothian-4-amine (CID 82711788) is N-(2-methoxyethoxy)-1-oxothian-4-amine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-oxothian-4-amine?
The canonical SMILES for N-(2-methoxyethoxy)-1-oxothian-4-amine is COCCONC1CCS(=O)CC1.
What is the InChIKey of N-(2-methoxyethoxy)-1-oxothian-4-amine?
The InChIKey is QSRUOSYYPVVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-11-4-5-12-9-8-2-6-13(10)7-3-8/h8-9H,2-7H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-1-oxothian-4-amine?
N-(2-methoxyethoxy)-1-oxothian-4-amine has a molecular weight of 207.29 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-oxothian-4-amine is sourced from PubChem (CID 82711788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).