2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole

C14H19NO3S — CID 70502276

IUPAC2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole
SMILESCCCCC(c1ccc[nH]1)(c1ccco1)S(C)(=O)=O
InChIInChI=1S/C14H19NO3S/c1-3-4-9-14(19(2,16)17,12-7-5-10-15-12)13-8-6-11-18-13/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyVZDBAKRJEPFPMA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.09
Rot. Bonds6

About 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole

2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole (PubChem CID 70502276) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole
PubChem CID70502276
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole
SMILESCCCCC(c1ccc[nH]1)(c1ccco1)S(C)(=O)=O
InChIInChI=1S/C14H19NO3S/c1-3-4-9-14(19(2,16)17,12-7-5-10-15-12)13-8-6-11-18-13/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyVZDBAKRJEPFPMA-UHFFFAOYSA-N
XLogP3.09
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole?
The IUPAC name of 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole (CID 70502276) is 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole?
The canonical SMILES for 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole is CCCCC(c1ccc[nH]1)(c1ccco1)S(C)(=O)=O.
What is the InChIKey of 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole?
The InChIKey is VZDBAKRJEPFPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-4-9-14(19(2,16)17,12-7-5-10-15-12)13-8-6-11-18-13/h5-8,10-11,15H,3-4,9H2,1-2H3.
What are the key properties of 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole?
2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole has a molecular weight of 281.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)-1-methylsulfonylpentyl]-1H-pyrrole is sourced from PubChem (CID 70502276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).