3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide

C14H24O3S — CID 176604095

IUPAC3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCOC=C2CCCCC2)C1
InChIInChI=1S/C14H24O3S/c15-18(16)10-8-14(12-18)7-4-9-17-11-13-5-2-1-3-6-13/h11,14H,1-10,12H2
InChIKeyVESNMTIHONGFAM-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.07
Rot. Bonds5

About 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide

3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide (PubChem CID 176604095) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide
PubChem CID176604095
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CCCOC=C2CCCCC2)C1
InChIInChI=1S/C14H24O3S/c15-18(16)10-8-14(12-18)7-4-9-17-11-13-5-2-1-3-6-13/h11,14H,1-10,12H2
InChIKeyVESNMTIHONGFAM-UHFFFAOYSA-N
XLogP3.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.07
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

2-[3-(cyclopentylidenemethoxy)propyl]-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604374
3-[3-(cyclopentylidenemethoxy)propyl]thiepane 1-oxide
CID 176604582
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138
3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603805
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiocane 1,1-dioxide
CID 176604257
2-[(3S)-1,1-dioxothiolan-3-yl]ethanol
CID 39871724
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604727
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110419004
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-[(3R)-1,1-dioxothiolan-3-yl]-N-methylethanamine
CID 94460979

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide (CID 176604095) is 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide is O=S1(=O)CCC(CCCOC=C2CCCCC2)C1.
What is the InChIKey of 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide?
The InChIKey is VESNMTIHONGFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c15-18(16)10-8-14(12-18)7-4-9-17-11-13-5-2-1-3-6-13/h11,14H,1-10,12H2.
What are the key properties of 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide?
3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylidenemethoxy)propyl]thiolane 1,1-dioxide is sourced from PubChem (CID 176604095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).