3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide

C12H20O3S — CID 176603297

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
SMILESO=S1(=O)CC(CCCOC=C2CCCC2)C1
InChIInChI=1S/C12H20O3S/c13-16(14)9-12(10-16)6-3-7-15-8-11-4-1-2-5-11/h8,12H,1-7,9-10H2
InChIKeyZXOLLEKKTFVRGM-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.29
Rot. Bonds5

About 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide

3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide (PubChem CID 176603297) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
PubChem CID176603297
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
SMILESO=S1(=O)CC(CCCOC=C2CCCC2)C1
InChIInChI=1S/C12H20O3S/c13-16(14)9-12(10-16)6-3-7-15-8-11-4-1-2-5-11/h8,12H,1-7,9-10H2
InChIKeyZXOLLEKKTFVRGM-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-Methylprop-1-enoxy)propyl]thietane 1,1-dioxide
CID 176602924
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176602931
3-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
3-(Cyclopentylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603060
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane 1,1-dioxide
CID 176603092
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1,1-dioxide
CID 176603112
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603124
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
3-[3-(Cyclopentylidenemethoxy)propyl]thiolane 1,1-dioxide
CID 176603258
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane 1-oxide
CID 176603276
3-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603294
3-(Cyclopentylidenemethoxymethyl)thiane 1-oxide
CID 176603589

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide (CID 176603297) is 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide is O=S1(=O)CC(CCCOC=C2CCCC2)C1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide?
The InChIKey is ZXOLLEKKTFVRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c13-16(14)9-12(10-16)6-3-7-15-8-11-4-1-2-5-11/h8,12H,1-7,9-10H2.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide?
3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide is sourced from PubChem (CID 176603297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).