oxolan-2-ylmethyl(dipropyl)sulfanium

C11H23OS+ — CID 173412395

IUPACoxolan-2-ylmethyl(dipropyl)sulfanium
SMILESCCC[S+](CCC)CC1CCCO1
InChIInChI=1S/C11H23OS/c1-3-8-13(9-4-2)10-11-6-5-7-12-11/h11H,3-10H2,1-2H3/q+1
InChIKeyTWDRDLHFCYFIMA-UHFFFAOYSA-N
MW203.37 g/mol
LogP2.60
Rot. Bonds6

About oxolan-2-ylmethyl(dipropyl)sulfanium

oxolan-2-ylmethyl(dipropyl)sulfanium (PubChem CID 173412395) has the molecular formula C11H23OS+ and a molecular weight of 203.37 g/mol. Its IUPAC name is oxolan-2-ylmethyl(dipropyl)sulfanium.

Molecular Properties

Compound Nameoxolan-2-ylmethyl(dipropyl)sulfanium
PubChem CID173412395
Molecular FormulaC11H23OS+
Molecular Weight203.37 g/mol
Exact Mass203.15
IUPAC Nameoxolan-2-ylmethyl(dipropyl)sulfanium
SMILESCCC[S+](CCC)CC1CCCO1
InChIInChI=1S/C11H23OS/c1-3-8-13(9-4-2)10-11-6-5-7-12-11/h11H,3-10H2,1-2H3/q+1
InChIKeyTWDRDLHFCYFIMA-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze oxolan-2-ylmethyl(dipropyl)sulfanium with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-ethyloxolane
CID 641529
octyl-[2-(oxan-2-yl)ethyl]-propylsulfanium
CID 173412419
azane;2-ethyloxolane
CID 174465001
cyclopropylmethyl-heptyl-[6-(oxan-2-yl)hexyl]sulfanium
CID 88679064
diethyl-[6-(oxolan-2-yl)hexyl]sulfanium
CID 23326620
2-tetradecyloxolane
CID 10683364
2-ethyloxolane;trifluoroborane
CID 175114476
methanol;[(2S)-oxolan-2-yl]methanol
CID 144618761
ethyl-methyl-[5-(oxolan-2-yl)pentyl]sulfanium
CID 23326622
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
[(2R)-oxolan-2-yl]methanamine
CID 2734124
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl(dipropyl)sulfanium?
The IUPAC name of oxolan-2-ylmethyl(dipropyl)sulfanium (CID 173412395) is oxolan-2-ylmethyl(dipropyl)sulfanium.
What is the SMILES notation for oxolan-2-ylmethyl(dipropyl)sulfanium?
The canonical SMILES for oxolan-2-ylmethyl(dipropyl)sulfanium is CCC[S+](CCC)CC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl(dipropyl)sulfanium?
The InChIKey is TWDRDLHFCYFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23OS/c1-3-8-13(9-4-2)10-11-6-5-7-12-11/h11H,3-10H2,1-2H3/q+1.
What are the key properties of oxolan-2-ylmethyl(dipropyl)sulfanium?
oxolan-2-ylmethyl(dipropyl)sulfanium has a molecular weight of 203.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl(dipropyl)sulfanium is sourced from PubChem (CID 173412395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).