2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone

C11H19NO4S2 — CID 114236019

IUPAC2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSC1CS(=O)(=O)CC1O)N1CCCCC1
InChIInChI=1S/C11H19NO4S2/c13-9-7-18(15,16)8-10(9)17-6-11(14)12-4-2-1-3-5-12/h9-10,13H,1-8H2
InChIKeyYFBZGDIRIWLAKF-UHFFFAOYSA-N
MW293.41 g/mol
LogP-0.11
Rot. Bonds3

About 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone

2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone (PubChem CID 114236019) has the molecular formula C11H19NO4S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone
PubChem CID114236019
Molecular FormulaC11H19NO4S2
Molecular Weight293.41 g/mol
Exact Mass293.08
IUPAC Name2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone
SMILESO=C(CSC1CS(=O)(=O)CC1O)N1CCCCC1
InChIInChI=1S/C11H19NO4S2/c13-9-7-18(15,16)8-10(9)17-6-11(14)12-4-2-1-3-5-12/h9-10,13H,1-8H2
InChIKeyYFBZGDIRIWLAKF-UHFFFAOYSA-N
XLogP-0.11
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone (CID 114236019) is 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone is O=C(CSC1CS(=O)(=O)CC1O)N1CCCCC1.
What is the InChIKey of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone?
The InChIKey is YFBZGDIRIWLAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S2/c13-9-7-18(15,16)8-10(9)17-6-11(14)12-4-2-1-3-5-12/h9-10,13H,1-8H2.
What are the key properties of 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone?
2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone has a molecular weight of 293.41 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfanyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 114236019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).