1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol

C12H22O3S — CID 115073727

IUPAC1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol
SMILESO=S1(=O)CCCCC1CCC1(O)CCCC1
InChIInChI=1S/C12H22O3S/c13-12(7-2-3-8-12)9-6-11-5-1-4-10-16(11,14)15/h11,13H,1-10H2
InChIKeyVKOAVKSXEVKZDE-UHFFFAOYSA-N
MW246.37 g/mol
LogP2.04
Rot. Bonds3

About 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol

1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol (PubChem CID 115073727) has the molecular formula C12H22O3S and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol
PubChem CID115073727
Molecular FormulaC12H22O3S
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Name1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol
SMILESO=S1(=O)CCCCC1CCC1(O)CCCC1
InChIInChI=1S/C12H22O3S/c13-12(7-2-3-8-12)9-6-11-5-1-4-10-16(11,14)15/h11,13H,1-10H2
InChIKeyVKOAVKSXEVKZDE-UHFFFAOYSA-N
XLogP2.04
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol
CID 115073563
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
CID 115074255
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
CID 105460990
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
1-(2-cyclohexylethyl)cyclobutan-1-ol
CID 126973785
1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol
CID 115073728
2-(isocyanomethyl)thiane 1,1-dioxide
CID 117103151
2-(1,1-dioxothian-2-yl)acetohydrazide
CID 84674346
2-(6-isothiocyanatohexyl)thiane 1,1-dioxide
CID 146300424
O-[1-(1,1-dioxothian-2-yl)-2-methylpropan-2-yl]hydroxylamine
CID 117104786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol (CID 115073727) is 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol is O=S1(=O)CCCCC1CCC1(O)CCCC1.
What is the InChIKey of 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol?
The InChIKey is VKOAVKSXEVKZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3S/c13-12(7-2-3-8-12)9-6-11-5-1-4-10-16(11,14)15/h11,13H,1-10H2.
What are the key properties of 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol?
1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol has a molecular weight of 246.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 115073727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).