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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Related Compounds

1-(azocan-1-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylethanone
CID 95572289
2-(1,1-dioxothiolan-3-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 60667109
2-cyclopentylsulfanyl-1-piperidin-1-ylethanone
CID 47003991
3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683202
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928
2-(1,1-dioxothian-4-yl)-1-pyrrolidin-1-ylethanone
CID 110848611
2-[2-(ethylamino)cyclopentyl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236292
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
2-(1,1-dioxo-1,4-thiazinan-3-yl)-1-pyrrolidin-1-ylethanone
CID 80520589
2-(1-hydroxypropan-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 115659711

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).