1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol

C12H22OS — CID 115073728

IUPAC1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol
SMILESOC1(CCC2CCCCS2)CCCC1
InChIInChI=1S/C12H22OS/c13-12(7-2-3-8-12)9-6-11-5-1-4-10-14-11/h11,13H,1-10H2
InChIKeyIBHCKIBNFSGAPS-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.36
Rot. Bonds3

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

1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol (PubChem CID 115073728) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol
PubChem CID115073728
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol
SMILESOC1(CCC2CCCCS2)CCCC1
InChIInChI=1S/C12H22OS/c13-12(7-2-3-8-12)9-6-11-5-1-4-10-14-11/h11,13H,1-10H2
InChIKeyIBHCKIBNFSGAPS-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(thian-2-ylmethyl)cyclohexan-1-ol
CID 115073797
1-(2-cyclopropylethyl)cyclohexan-1-ol
CID 106590346
1-(2-cyclohexylethyl)cyclobutan-1-ol
CID 126973785
2-methyl-2-[2-(thiolan-2-yl)ethyl]piperidine
CID 117271620
1-[2-(1,1-dioxothian-2-yl)ethyl]cyclopentan-1-ol
CID 115073727
silane;2-(thiepan-2-ylmethyl)thiepane
CID 173274249
2-dodecylthiane
CID 14420052
thiepan-2-amine
CID 175886388
1-[2-(1,1-dioxothian-4-yl)ethyl]cyclopentan-1-ol
CID 115073699
1-[2-(oxolan-2-yl)ethyl]cyclopentan-1-ol
CID 65162273
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65162275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol (CID 115073728) is 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol is OC1(CCC2CCCCS2)CCCC1.
What is the InChIKey of 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol?
The InChIKey is IBHCKIBNFSGAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c13-12(7-2-3-8-12)9-6-11-5-1-4-10-14-11/h11,13H,1-10H2.
What are the key properties of 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol?
1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol has a molecular weight of 214.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 115073728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).