trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol

C10H14O2S — CID 107780914

IUPACtrans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
SMILESCc1occc1S[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H14O2S/c1-7-9(5-6-12-7)13-10-4-2-3-8(10)11/h5-6,8,10-11H,2-4H2,1H3/t8-,10-/m1/s1
InChIKeyJJDCCPVAWVRJOJ-PSASIEDQSA-N
MW198.29 g/mol
LogP2.59
Rot. Bonds2

About trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol

trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol (PubChem CID 107780914) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
PubChem CID107780914
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Nametrans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
SMILESCc1occc1S[C@@H]1CCC[C@H]1O
InChIInChI=1S/C10H14O2S/c1-7-9(5-6-12-7)13-10-4-2-3-8(10)11/h5-6,8,10-11H,2-4H2,1H3/t8-,10-/m1/s1
InChIKeyJJDCCPVAWVRJOJ-PSASIEDQSA-N
XLogP2.59
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol (CID 107780914) is trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol is Cc1occc1S[C@@H]1CCC[C@H]1O.
What is the InChIKey of trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
The InChIKey is JJDCCPVAWVRJOJ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7-9(5-6-12-7)13-10-4-2-3-8(10)11/h5-6,8,10-11H,2-4H2,1H3/t8-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol is sourced from PubChem (CID 107780914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).