1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

C11H23NO5S — CID 106992286

IUPAC1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESCOCCOCC(O)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H23NO5S/c1-10-9-18(14,15)6-3-12(10)7-11(13)8-17-5-4-16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyNGCMGCYOOXSCHD-UHFFFAOYSA-N
MW281.37 g/mol
LogP-0.87
Rot. Bonds7

About 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol

1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (PubChem CID 106992286) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
PubChem CID106992286
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Name1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
SMILESCOCCOCC(O)CN1CCS(=O)(=O)CC1C
InChIInChI=1S/C11H23NO5S/c1-10-9-18(14,15)6-3-12(10)7-11(13)8-17-5-4-16-2/h10-11,13H,3-9H2,1-2H3
InChIKeyNGCMGCYOOXSCHD-UHFFFAOYSA-N
XLogP-0.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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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Related Compounds

1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992702
2-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-ol
CID 103878593
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
ethyl 2-(methylamino)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propanoate
CID 102886224
3-methyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-amine
CID 102884252
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
1-[3-(hydroxymethyl)morpholin-4-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992250
7-[2-hydroxy-3-(2-methoxyethoxy)propyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 106991473
2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]pentane-1-thiol
CID 102887575

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol (CID 106992286) is 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is COCCOCC(O)CN1CCS(=O)(=O)CC1C.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
The InChIKey is NGCMGCYOOXSCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-10-9-18(14,15)6-3-12(10)7-11(13)8-17-5-4-16-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol?
1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol has a molecular weight of 281.37 g/mol, XLogP of -0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol is sourced from PubChem (CID 106992286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).