2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide

C15H26O3S — CID 176604994

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
SMILESCC1(COC=C2CCCC2)CCCCCCS1(=O)=O
InChIInChI=1S/C15H26O3S/c1-15(13-18-12-14-8-4-5-9-14)10-6-2-3-7-11-19(15,16)17/h12H,2-11,13H2,1H3
InChIKeyJLUFMMNCHREKHA-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.60
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide

2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide (PubChem CID 176604994) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
PubChem CID176604994
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
SMILESCC1(COC=C2CCCC2)CCCCCCS1(=O)=O
InChIInChI=1S/C15H26O3S/c1-15(13-18-12-14-8-4-5-9-14)10-6-2-3-7-11-19(15,16)17/h12H,2-11,13H2,1H3
InChIKeyJLUFMMNCHREKHA-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603682
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiocane 1,1-dioxide
CID 176604257
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604727
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
2-(cyclohexylidenemethoxymethyl)-2-methylthiane
CID 176605246
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane 1,1-dioxide
CID 176604653
2-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide (CID 176604994) is 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide is CC1(COC=C2CCCC2)CCCCCCS1(=O)=O.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
The InChIKey is JLUFMMNCHREKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-15(13-18-12-14-8-4-5-9-14)10-6-2-3-7-11-19(15,16)17/h12H,2-11,13H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide?
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide is sourced from PubChem (CID 176604994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).