2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide

C9H16N2O3S — CID 62525259

IUPAC2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1ccc(C)o1
InChIInChI=1S/C9H16N2O3S/c1-8-3-4-9(14-8)7-11-15(12,13)6-5-10-2/h3-4,10-11H,5-7H2,1-2H3
InChIKeyBXQSOGINRCYJTL-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.23
Rot. Bonds6

About 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide

2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide (PubChem CID 62525259) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide
PubChem CID62525259
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide
SMILESCNCCS(=O)(=O)NCc1ccc(C)o1
InChIInChI=1S/C9H16N2O3S/c1-8-3-4-9(14-8)7-11-15(12,13)6-5-10-2/h3-4,10-11H,5-7H2,1-2H3
InChIKeyBXQSOGINRCYJTL-UHFFFAOYSA-N
XLogP0.23
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-2-phenylethanesulfonamide
CID 110731727
N-[(5-methylfuran-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110731718
N-[(5-methylfuran-2-yl)methyl]propane-2-sulfonamide
CID 64584548
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 65243947
3,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 62525272
N-methyl-4-[(5-methylfuran-2-yl)methylamino]benzenesulfonamide
CID 43742503
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
5-(methylaminomethyl)-N-[2-(methylsulfamoyl)ethyl]furan-2-sulfonamide
CID 106342936
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 25039893
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide (CID 62525259) is 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide is CNCCS(=O)(=O)NCc1ccc(C)o1.
What is the InChIKey of 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide?
The InChIKey is BXQSOGINRCYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8-3-4-9(14-8)7-11-15(12,13)6-5-10-2/h3-4,10-11H,5-7H2,1-2H3.
What are the key properties of 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide?
2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(5-methylfuran-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 62525259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).