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

C10H18O3S — CID 115073563

IUPAC1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol
SMILESO=S1(=O)CCCCC1CCC1(O)CC1
InChIInChI=1S/C10H18O3S/c11-10(6-7-10)5-4-9-3-1-2-8-14(9,12)13/h9,11H,1-8H2
InChIKeyXDQFIKLWKHIOFX-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.26
Rot. Bonds3

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

1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol (PubChem CID 115073563) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol
PubChem CID115073563
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol
SMILESO=S1(=O)CCCCC1CCC1(O)CC1
InChIInChI=1S/C10H18O3S/c11-10(6-7-10)5-4-9-3-1-2-8-14(9,12)13/h9,11H,1-8H2
InChIKeyXDQFIKLWKHIOFX-UHFFFAOYSA-N
XLogP1.26
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol
CID 115073727
1-[2-(1,1-dioxothiolan-2-yl)ethyl]cyclohexan-1-amine
CID 115074255
[(2R)-1,1-dioxothian-2-yl]methanol
CID 94865465
N-[2-(1,1-dioxothian-2-yl)ethyl]-N-methylhydroxylamine
CID 105460990
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
1-(2-cyclopropylethyl)cyclopropan-1-ol
CID 91129908
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
2-(isocyanomethyl)thiane 1,1-dioxide
CID 117103151
2-(1,1-dioxothian-2-yl)acetohydrazide
CID 84674346
1-(2-cyclohexylethyl)cyclobutan-1-ol
CID 126973785
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]cyclopropan-1-ol?
The IUPAC name of 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol (CID 115073563) is 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol is O=S1(=O)CCCCC1CCC1(O)CC1.
What is the InChIKey of 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol?
The InChIKey is XDQFIKLWKHIOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c11-10(6-7-10)5-4-9-3-1-2-8-14(9,12)13/h9,11H,1-8H2.
What are the key properties of 1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol?
1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopropan-1-ol has a molecular weight of 218.32 g/mol, XLogP of 1.26, 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]cyclopropan-1-ol is sourced from PubChem (CID 115073563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).