(7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran

C11H16OS — CID 130220610

IUPAC(7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran
SMILESCCOC1=C[C@H](C)C2=C1CCSC2
InChIInChI=1S/C11H16OS/c1-3-12-11-6-8(2)10-7-13-5-4-9(10)11/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKeyNVYRNRNWCYNXGQ-QMMMGPOBSA-N
MW196.31 g/mol
LogP2.99
Rot. Bonds2

About (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran

(7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran (PubChem CID 130220610) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran.

Molecular Properties

Compound Name(7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran
PubChem CID130220610
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name(7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran
SMILESCCOC1=C[C@H](C)C2=C1CCSC2
InChIInChI=1S/C11H16OS/c1-3-12-11-6-8(2)10-7-13-5-4-9(10)11/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKeyNVYRNRNWCYNXGQ-QMMMGPOBSA-N
XLogP2.99
TPSA9.23 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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
The IUPAC name of (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran (CID 130220610) is (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran.
What is the SMILES notation for (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
The canonical SMILES for (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran is CCOC1=C[C@H](C)C2=C1CCSC2.
What is the InChIKey of (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
The InChIKey is NVYRNRNWCYNXGQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16OS/c1-3-12-11-6-8(2)10-7-13-5-4-9(10)11/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran?
(7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran has a molecular weight of 196.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-5-ethoxy-7-methyl-1,3,4,7-tetrahydrocyclopenta[c]thiopyran is sourced from PubChem (CID 130220610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).