2-methyl-5-(prop-2-ynylsulfonylmethyl)furan

C9H10O3S — CID 44551958

IUPAC2-methyl-5-(prop-2-ynylsulfonylmethyl)furan
SMILESC#CCS(=O)(=O)Cc1ccc(C)o1
InChIInChI=1S/C9H10O3S/c1-3-6-13(10,11)7-9-5-4-8(2)12-9/h1,4-5H,6-7H2,2H3
InChIKeyXVLLWPUNBQCCFN-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.14
Rot. Bonds3

About 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan

2-methyl-5-(prop-2-ynylsulfonylmethyl)furan (PubChem CID 44551958) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan.

Molecular Properties

Compound Name2-methyl-5-(prop-2-ynylsulfonylmethyl)furan
PubChem CID44551958
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name2-methyl-5-(prop-2-ynylsulfonylmethyl)furan
SMILESC#CCS(=O)(=O)Cc1ccc(C)o1
InChIInChI=1S/C9H10O3S/c1-3-6-13(10,11)7-9-5-4-8(2)12-9/h1,4-5H,6-7H2,2H3
InChIKeyXVLLWPUNBQCCFN-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan 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 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan?
The IUPAC name of 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan (CID 44551958) is 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan.
What is the SMILES notation for 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan?
The canonical SMILES for 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan is C#CCS(=O)(=O)Cc1ccc(C)o1.
What is the InChIKey of 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan?
The InChIKey is XVLLWPUNBQCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c1-3-6-13(10,11)7-9-5-4-8(2)12-9/h1,4-5H,6-7H2,2H3.
What are the key properties of 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan?
2-methyl-5-(prop-2-ynylsulfonylmethyl)furan has a molecular weight of 198.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(prop-2-ynylsulfonylmethyl)furan is sourced from PubChem (CID 44551958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).