(5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one

C11H16OS — CID 102578467

IUPAC(5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one
SMILESCCC[C@H]1CC(=O)C2=C1CCCS2
InChIInChI=1S/C11H16OS/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyWNAHNRNRMDLZSD-QMMMGPOBSA-N
MW196.31 g/mol
LogP3.16
Rot. Bonds2

About (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one

(5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one (PubChem CID 102578467) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one.

Molecular Properties

Compound Name(5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one
PubChem CID102578467
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one
SMILESCCC[C@H]1CC(=O)C2=C1CCCS2
InChIInChI=1S/C11H16OS/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyWNAHNRNRMDLZSD-QMMMGPOBSA-N
XLogP3.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
The IUPAC name of (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one (CID 102578467) is (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one.
What is the SMILES notation for (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
The canonical SMILES for (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one is CCC[C@H]1CC(=O)C2=C1CCCS2.
What is the InChIKey of (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
The InChIKey is WNAHNRNRMDLZSD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16OS/c1-2-4-8-7-10(12)11-9(8)5-3-6-13-11/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one?
(5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one has a molecular weight of 196.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]thiopyran-7-one is sourced from PubChem (CID 102578467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).