4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol

C11H21NO4S — CID 107394230

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCOC1(C)CCCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H21NO4S/c1-11(16-2)4-3-5-12(8-11)9-6-17(14,15)7-10(9)13/h9-10,13H,3-8H2,1-2H3
InChIKeyYMBNZROAWKKDOY-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.35
Rot. Bonds2

About 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol

4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol (PubChem CID 107394230) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
PubChem CID107394230
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol
SMILESCOC1(C)CCCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C11H21NO4S/c1-11(16-2)4-3-5-12(8-11)9-6-17(14,15)7-10(9)13/h9-10,13H,3-8H2,1-2H3
InChIKeyYMBNZROAWKKDOY-UHFFFAOYSA-N
XLogP-0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol (CID 107394230) is 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol is COC1(C)CCCN(C2CS(=O)(=O)CC2O)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
The InChIKey is YMBNZROAWKKDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-11(16-2)4-3-5-12(8-11)9-6-17(14,15)7-10(9)13/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol?
4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol has a molecular weight of 263.36 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 107394230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).