4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol

C12H24N2O3S — CID 63855383

IUPAC4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
SMILESCNC(C)C1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C12H24N2O3S/c1-9(13-2)10-5-3-4-6-14(10)11-7-18(16,17)8-12(11)15/h9-13,15H,3-8H2,1-2H3
InChIKeyPWZBCRLAXCDWDF-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.39
Rot. Bonds3

About 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol

4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol (PubChem CID 63855383) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
PubChem CID63855383
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol
SMILESCNC(C)C1CCCCN1C1CS(=O)(=O)CC1O
InChIInChI=1S/C12H24N2O3S/c1-9(13-2)10-5-3-4-6-14(10)11-7-18(16,17)8-12(11)15/h9-13,15H,3-8H2,1-2H3
InChIKeyPWZBCRLAXCDWDF-UHFFFAOYSA-N
XLogP-0.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The IUPAC name of 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol (CID 63855383) is 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The canonical SMILES for 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol is CNC(C)C1CCCCN1C1CS(=O)(=O)CC1O.
What is the InChIKey of 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
The InChIKey is PWZBCRLAXCDWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(13-2)10-5-3-4-6-14(10)11-7-18(16,17)8-12(11)15/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol?
4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol has a molecular weight of 276.40 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63855383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).