N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide

C13H17N3O3S — CID 121199016

IUPACN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCc1nccnc1-c1ccco1
InChIInChI=1S/C13H17N3O3S/c1-10(2)9-20(17,18)16-8-11-13(15-6-5-14-11)12-4-3-7-19-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeyFGHUMRJEYCWVII-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.81
Rot. Bonds6

About N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide (PubChem CID 121199016) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide
PubChem CID121199016
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)NCc1nccnc1-c1ccco1
InChIInChI=1S/C13H17N3O3S/c1-10(2)9-20(17,18)16-8-11-13(15-6-5-14-11)12-4-3-7-19-12/h3-7,10,16H,8-9H2,1-2H3
InChIKeyFGHUMRJEYCWVII-UHFFFAOYSA-N
XLogP1.81
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-sulfonamide
CID 121023148
1-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-propan-2-ylurea
CID 121199008
2-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]propane-1-sulfonamide
CID 122277004
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]morpholine-4-sulfonamide
CID 121199085
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121023153
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]pentanamide
CID 121198710
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 119105871
4-(dimethylsulfamoyl)-N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]benzamide
CID 121198772
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-3-methylbenzamide
CID 121023120
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 119105889
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-5-methylthiophene-2-carboxamide
CID 121198890
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-pyrrol-1-ylacetamide
CID 121198831

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
The IUPAC name of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide (CID 121199016) is N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)NCc1nccnc1-c1ccco1.
What is the InChIKey of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
The InChIKey is FGHUMRJEYCWVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(2)9-20(17,18)16-8-11-13(15-6-5-14-11)12-4-3-7-19-12/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide?
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 121199016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).