1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol

C8H14OS — CID 84650815

IUPAC1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol
SMILESOC1(CCC2CSC2)CC1
InChIInChI=1S/C8H14OS/c9-8(3-4-8)2-1-7-5-10-6-7/h7,9H,1-6H2
InChIKeyFVQFKTOYXYIVBP-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.65
Rot. Bonds3

About 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol

1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol (PubChem CID 84650815) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol
PubChem CID84650815
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol
SMILESOC1(CCC2CSC2)CC1
InChIInChI=1S/C8H14OS/c9-8(3-4-8)2-1-7-5-10-6-7/h7,9H,1-6H2
InChIKeyFVQFKTOYXYIVBP-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-ol
CID 115073542
1-(2-cyclopropylethyl)cyclopropan-1-ol
CID 91129908
1-(thietan-3-ylmethyl)cyclopropan-1-ol
CID 84648985
1-(2-cyclopropylethyl)-4,4-dimethylcyclohexan-1-ol
CID 106590452
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
1-(2-cyclohexylethyl)cyclobutan-1-ol
CID 126973785
1-(2-piperidin-3-ylethyl)cyclopropan-1-ol
CID 84653581
4-(2-cyclopropylethyl)-1-propan-2-ylpiperidin-4-ol
CID 106590391
4-(2-cyclopropylethyl)-4-hydroxycyclohexan-1-one
CID 106590488
1-[3-(1-hydroxycyclopropyl)propyl]cyclopropan-1-ol
CID 916078
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
3-amino-1-(2-cyclopropylethyl)cyclobutan-1-ol
CID 106590534

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol (CID 84650815) is 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol is OC1(CCC2CSC2)CC1.
What is the InChIKey of 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol?
The InChIKey is FVQFKTOYXYIVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c9-8(3-4-8)2-1-7-5-10-6-7/h7,9H,1-6H2.
What are the key properties of 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol?
1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol has a molecular weight of 158.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thietan-3-yl)ethyl]cyclopropan-1-ol is sourced from PubChem (CID 84650815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).