5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide

C9H16N2O4S2 — CID 113486780

IUPAC5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
SMILESCC(CS(C)=O)NS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C9H16N2O4S2/c1-7(6-16(2)12)11-17(13,14)9-4-3-8(5-10)15-9/h3-4,7,11H,5-6,10H2,1-2H3
InChIKeyXCULXRJMHNBYBV-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.22
Rot. Bonds6

About 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide

5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide (PubChem CID 113486780) has the molecular formula C9H16N2O4S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
PubChem CID113486780
Molecular FormulaC9H16N2O4S2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC Name5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide
SMILESCC(CS(C)=O)NS(=O)(=O)c1ccc(CN)o1
InChIInChI=1S/C9H16N2O4S2/c1-7(6-16(2)12)11-17(13,14)9-4-3-8(5-10)15-9/h3-4,7,11H,5-6,10H2,1-2H3
InChIKeyXCULXRJMHNBYBV-UHFFFAOYSA-N
XLogP-0.22
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-(4-hydroxybutan-2-yl)furan-2-sulfonamide
CID 83180119
N-(4-hydroxybutan-2-yl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 83178330
N-[(2S)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
CID 120713155
5-(aminomethyl)-N-(2-ethylsulfonylethyl)furan-2-sulfonamide
CID 114112494
N-[(2R)-1-aminopropan-2-yl]-5-bromofuran-2-sulfonamide;hydrochloride
CID 120712867
3-bromo-4-chloro-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 106546751
3-amino-5-bromo-2-methyl-N-(1-methylsulfinylpropan-2-yl)benzenesulfonamide
CID 114380223
5-(aminomethyl)-N-naphthalen-1-ylfuran-2-sulfonamide
CID 106040339
1-(2-aminophenyl)-N-(1-methylsulfinylpropan-2-yl)methanesulfonamide
CID 113486328
2,3,5,6-tetrafluoro-N-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]benzenesulfonamide
CID 99839908
5-(aminomethyl)-N-(3-chloro-4-methoxyphenyl)furan-2-sulfonamide
CID 106048091
2-methyl-4-(1-methylsulfinylpropan-2-ylsulfamoyl)benzenecarbothioamide
CID 106920361

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide (CID 113486780) is 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide is CC(CS(C)=O)NS(=O)(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide?
The InChIKey is XCULXRJMHNBYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S2/c1-7(6-16(2)12)11-17(13,14)9-4-3-8(5-10)15-9/h3-4,7,11H,5-6,10H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide?
5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide has a molecular weight of 280.37 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-methylsulfinylpropan-2-yl)furan-2-sulfonamide is sourced from PubChem (CID 113486780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).