cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one

C16H24OS2 — CID 134937728

IUPACcis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@]1(C)C(=O)CC[C@@H]1[C@H](C)C=C1SCCCS1
InChIInChI=1S/C16H24OS2/c1-4-8-16(3)13(6-7-14(16)17)12(2)11-15-18-9-5-10-19-15/h4,11-13H,1,5-10H2,2-3H3/t12-,13-,16-/m1/s1
InChIKeyRWNZTAGNRIBMDG-XJKCOSOUSA-N
MW296.50 g/mol
LogP4.90
Rot. Bonds4

About cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one

cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one (PubChem CID 134937728) has the molecular formula C16H24OS2 and a molecular weight of 296.50 g/mol. Its IUPAC name is cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
PubChem CID134937728
Molecular FormulaC16H24OS2
Molecular Weight296.50 g/mol
Exact Mass296.13
IUPAC Namecis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@]1(C)C(=O)CC[C@@H]1[C@H](C)C=C1SCCCS1
InChIInChI=1S/C16H24OS2/c1-4-8-16(3)13(6-7-14(16)17)12(2)11-15-18-9-5-10-19-15/h4,11-13H,1,5-10H2,2-3H3/t12-,13-,16-/m1/s1
InChIKeyRWNZTAGNRIBMDG-XJKCOSOUSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one 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 cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one (CID 134937728) is cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one is C=CC[C@@]1(C)C(=O)CC[C@@H]1[C@H](C)C=C1SCCCS1.
What is the InChIKey of cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
The InChIKey is RWNZTAGNRIBMDG-XJKCOSOUSA-N. The full InChI is InChI=1S/C16H24OS2/c1-4-8-16(3)13(6-7-14(16)17)12(2)11-15-18-9-5-10-19-15/h4,11-13H,1,5-10H2,2-3H3/t12-,13-,16-/m1/s1.
What are the key properties of cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one?
cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one has a molecular weight of 296.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 134937728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).