N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide

C9H12N2O3S — CID 557241

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C9H12N2O3S/c1-15(12,13)11(6-3-5-10)8-9-4-2-7-14-9/h2,4,7H,3,6,8H2,1H3
InChIKeyBWYKXLGSHSBKKU-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.95
Rot. Bonds5

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide (PubChem CID 557241) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide
PubChem CID557241
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC#N)Cc1ccco1
InChIInChI=1S/C9H12N2O3S/c1-15(12,13)11(6-3-5-10)8-9-4-2-7-14-9/h2,4,7H,3,6,8H2,1H3
InChIKeyBWYKXLGSHSBKKU-UHFFFAOYSA-N
XLogP0.95
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide (CID 557241) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(CCC#N)Cc1ccco1.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide?
The InChIKey is BWYKXLGSHSBKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-15(12,13)11(6-3-5-10)8-9-4-2-7-14-9/h2,4,7H,3,6,8H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide has a molecular weight of 228.27 g/mol, XLogP of 0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 557241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).