N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide

C9H15NO3S — CID 90536150

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(C)oc1C
InChIInChI=1S/C9H15NO3S/c1-4-14(11,12)10-6-9-5-7(2)13-8(9)3/h5,10H,4,6H2,1-3H3
InChIKeyPCBVSIZPVVFXGA-UHFFFAOYSA-N
MW217.29 g/mol
LogP1.34
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide

N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide (PubChem CID 90536150) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide
PubChem CID90536150
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1cc(C)oc1C
InChIInChI=1S/C9H15NO3S/c1-4-14(11,12)10-6-9-5-7(2)13-8(9)3/h5,10H,4,6H2,1-3H3
InChIKeyPCBVSIZPVVFXGA-UHFFFAOYSA-N
XLogP1.34
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide (CID 90536150) is N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1cc(C)oc1C.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide?
The InChIKey is PCBVSIZPVVFXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-4-14(11,12)10-6-9-5-7(2)13-8(9)3/h5,10H,4,6H2,1-3H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide?
N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 90536150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).