(5-methyloxolan-2-yl)-(thiolan-3-yl)methanone

C10H16O2S — CID 114286960

IUPAC(5-methyloxolan-2-yl)-(thiolan-3-yl)methanone
SMILESCC1CCC(C(=O)C2CCSC2)O1
InChIInChI=1S/C10H16O2S/c1-7-2-3-9(12-7)10(11)8-4-5-13-6-8/h7-9H,2-6H2,1H3
InChIKeyCNTKBSGIXUDQRU-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.88
Rot. Bonds2

About (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone

(5-methyloxolan-2-yl)-(thiolan-3-yl)methanone (PubChem CID 114286960) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-2-yl)-(thiolan-3-yl)methanone
PubChem CID114286960
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name(5-methyloxolan-2-yl)-(thiolan-3-yl)methanone
SMILESCC1CCC(C(=O)C2CCSC2)O1
InChIInChI=1S/C10H16O2S/c1-7-2-3-9(12-7)10(11)8-4-5-13-6-8/h7-9H,2-6H2,1H3
InChIKeyCNTKBSGIXUDQRU-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone (CID 114286960) is (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone is CC1CCC(C(=O)C2CCSC2)O1.
What is the InChIKey of (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone?
The InChIKey is CNTKBSGIXUDQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-7-2-3-9(12-7)10(11)8-4-5-13-6-8/h7-9H,2-6H2,1H3.
What are the key properties of (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone?
(5-methyloxolan-2-yl)-(thiolan-3-yl)methanone has a molecular weight of 200.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl)-(thiolan-3-yl)methanone is sourced from PubChem (CID 114286960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).