N-(furan-3-ylmethyl)-N-methylmethanesulfonamide

C7H11NO3S — CID 20745865

IUPACN-(furan-3-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccoc1)S(C)(=O)=O
InChIInChI=1S/C7H11NO3S/c1-8(12(2,9)10)5-7-3-4-11-6-7/h3-4,6H,5H2,1-2H3
InChIKeyXPOCBLMGSABPFG-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.67
Rot. Bonds3

About N-(furan-3-ylmethyl)-N-methylmethanesulfonamide

N-(furan-3-ylmethyl)-N-methylmethanesulfonamide (PubChem CID 20745865) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N-methylmethanesulfonamide
PubChem CID20745865
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC NameN-(furan-3-ylmethyl)-N-methylmethanesulfonamide
SMILESCN(Cc1ccoc1)S(C)(=O)=O
InChIInChI=1S/C7H11NO3S/c1-8(12(2,9)10)5-7-3-4-11-6-7/h3-4,6H,5H2,1-2H3
InChIKeyXPOCBLMGSABPFG-UHFFFAOYSA-N
XLogP0.67
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(furan-3-ylmethyl)-N-methylmethanesulfonamide (CID 20745865) is N-(furan-3-ylmethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(furan-3-ylmethyl)-N-methylmethanesulfonamide is CN(Cc1ccoc1)S(C)(=O)=O.
What is the InChIKey of N-(furan-3-ylmethyl)-N-methylmethanesulfonamide?
The InChIKey is XPOCBLMGSABPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-8(12(2,9)10)5-7-3-4-11-6-7/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N-methylmethanesulfonamide?
N-(furan-3-ylmethyl)-N-methylmethanesulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 20745865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).