1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol

C12H22O3S — CID 105090384

IUPAC1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
SMILESO=S1(=O)CCC(CC(O)CC2CCCC2)C1
InChIInChI=1S/C12H22O3S/c13-12(7-10-3-1-2-4-10)8-11-5-6-16(14,15)9-11/h10-13H,1-9H2
InChIKeyXZZZCAWZEWJAQV-UHFFFAOYSA-N
MW246.37 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol

1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol (PubChem CID 105090384) has the molecular formula C12H22O3S and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
PubChem CID105090384
Molecular FormulaC12H22O3S
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Name1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
SMILESO=S1(=O)CCC(CC(O)CC2CCCC2)C1
InChIInChI=1S/C12H22O3S/c13-12(7-10-3-1-2-4-10)8-11-5-6-16(14,15)9-11/h10-13H,1-9H2
InChIKeyXZZZCAWZEWJAQV-UHFFFAOYSA-N
XLogP1.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 155010276
[1-cycloheptyl-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105330653
1-(1,1-dioxothiolan-3-yl)-3-ethoxypropan-2-ol
CID 105111757
1-(1,1-dioxothiolan-3-yl)-3-methylbut-3-en-2-ol
CID 105110471
3-(1,1-dioxothiolan-3-yl)-2-methylpropanoic acid
CID 84779133
2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
CID 105112720
(2S)-3-[(1,1-dioxothiolan-3-yl)methylamino]propane-1,2-diol
CID 61150575
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
1-(3,4-dihydro-2H-pyran-6-yl)-2-(1,1-dioxothiolan-3-yl)ethanol
CID 102649648
1-(1,1-dioxothiolan-3-yl)-3-(1-methyltriazol-4-yl)propan-2-ol
CID 107065641
2-(1,1-dioxothiolan-3-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 105155339
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol (CID 105090384) is 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol is O=S1(=O)CCC(CC(O)CC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
The InChIKey is XZZZCAWZEWJAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3S/c13-12(7-10-3-1-2-4-10)8-11-5-6-16(14,15)9-11/h10-13H,1-9H2.
What are the key properties of 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol?
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol has a molecular weight of 246.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol is sourced from PubChem (CID 105090384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).