2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol

C15H31NO7S — CID 155059559

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
SMILESCOCCOCCOCCOC(C)C(CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H31NO7S/c1-14(23-10-9-22-8-7-21-6-5-20-2)15(13-17)16-3-11-24(18,19)12-4-16/h14-15,17H,3-13H2,1-2H3
InChIKeyUVKAOCXBCCZWOU-UHFFFAOYSA-N
MW369.48 g/mol
LogP-0.84
Rot. Bonds13

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol

2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol (PubChem CID 155059559) has the molecular formula C15H31NO7S and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
PubChem CID155059559
Molecular FormulaC15H31NO7S
Molecular Weight369.48 g/mol
Exact Mass369.18
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol
SMILESCOCCOCCOCCOC(C)C(CO)N1CCS(=O)(=O)CC1
InChIInChI=1S/C15H31NO7S/c1-14(23-10-9-22-8-7-21-6-5-20-2)15(13-17)16-3-11-24(18,19)12-4-16/h14-15,17H,3-13H2,1-2H3
InChIKeyUVKAOCXBCCZWOU-UHFFFAOYSA-N
XLogP-0.84
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol (CID 155059559) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol is COCCOCCOCCOC(C)C(CO)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
The InChIKey is UVKAOCXBCCZWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO7S/c1-14(23-10-9-22-8-7-21-6-5-20-2)15(13-17)16-3-11-24(18,19)12-4-16/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol has a molecular weight of 369.48 g/mol, XLogP of -0.84, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-1-ol is sourced from PubChem (CID 155059559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).