4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol

C11H23NO5S — CID 54990385

IUPAC4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol
SMILESCOCCCN(CCOC)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H23NO5S/c1-16-6-3-4-12(5-7-17-2)10-8-18(14,15)9-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyOLEJNBDVWQXNPF-UHFFFAOYSA-N
MW281.37 g/mol
LogP-0.87
Rot. Bonds8

About 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol

4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol (PubChem CID 54990385) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol
PubChem CID54990385
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Name4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol
SMILESCOCCCN(CCOC)C1CS(=O)(=O)CC1O
InChIInChI=1S/C11H23NO5S/c1-16-6-3-4-12(5-7-17-2)10-8-18(14,15)9-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyOLEJNBDVWQXNPF-UHFFFAOYSA-N
XLogP-0.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol (CID 54990385) is 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol is COCCCN(CCOC)C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol?
The InChIKey is OLEJNBDVWQXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-16-6-3-4-12(5-7-17-2)10-8-18(14,15)9-11(10)13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol?
4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol has a molecular weight of 281.37 g/mol, XLogP of -0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(3-methoxypropyl)amino]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 54990385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).