furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane

C8H12N2O2S — CID 164671716

IUPACfuran-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILES[H]N=S(=O)(c1ccoc1)N1CCCC1
InChIInChI=1S/C8H12N2O2S/c9-13(11,8-3-6-12-7-8)10-4-1-2-5-10/h3,6-7,9H,1-2,4-5H2
InChIKeyWPFXRJCCUAMWTN-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.70
Rot. Bonds2

About furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane

furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane (PubChem CID 164671716) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane.

Molecular Properties

Compound Namefuran-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane
PubChem CID164671716
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namefuran-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane
SMILES[H]N=S(=O)(c1ccoc1)N1CCCC1
InChIInChI=1S/C8H12N2O2S/c9-13(11,8-3-6-12-7-8)10-4-1-2-5-10/h3,6-7,9H,1-2,4-5H2
InChIKeyWPFXRJCCUAMWTN-UHFFFAOYSA-N
XLogP1.70
TPSA57.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The IUPAC name of furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane (CID 164671716) is furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane.
What is the SMILES notation for furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The canonical SMILES for furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane is [H]N=S(=O)(c1ccoc1)N1CCCC1.
What is the InChIKey of furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane?
The InChIKey is WPFXRJCCUAMWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-13(11,8-3-6-12-7-8)10-4-1-2-5-10/h3,6-7,9H,1-2,4-5H2.
What are the key properties of furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane?
furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane has a molecular weight of 200.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-imino-oxo-pyrrolidin-1-yl-λ6-sulfane is sourced from PubChem (CID 164671716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).