1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol

C10H14O2S — CID 175870527

IUPAC1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
SMILESCc1occc1SC1(O)CCCC1
InChIInChI=1S/C10H14O2S/c1-8-9(4-7-12-8)13-10(11)5-2-3-6-10/h4,7,11H,2-3,5-6H2,1H3
InChIKeyQQDYSRUBLATFGW-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.94
Rot. Bonds2

About 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol

1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol (PubChem CID 175870527) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol.

Molecular Properties

Compound Name1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
PubChem CID175870527
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
SMILESCc1occc1SC1(O)CCCC1
InChIInChI=1S/C10H14O2S/c1-8-9(4-7-12-8)13-10(11)5-2-3-6-10/h4,7,11H,2-3,5-6H2,1H3
InChIKeyQQDYSRUBLATFGW-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
The IUPAC name of 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol (CID 175870527) is 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol.
What is the SMILES notation for 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
The canonical SMILES for 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol is Cc1occc1SC1(O)CCCC1.
What is the InChIKey of 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
The InChIKey is QQDYSRUBLATFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8-9(4-7-12-8)13-10(11)5-2-3-6-10/h4,7,11H,2-3,5-6H2,1H3.
What are the key properties of 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol?
1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol has a molecular weight of 198.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol is sourced from PubChem (CID 175870527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).