5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide

C9H16N2O4S2 — CID 113484035

IUPAC5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
SMILESCC(CNCc1ccc(S(N)(=O)=O)o1)S(C)=O
InChIInChI=1S/C9H16N2O4S2/c1-7(16(2)12)5-11-6-8-3-4-9(15-8)17(10,13)14/h3-4,7,11H,5-6H2,1-2H3,(H2,10,13,14)
InChIKeyAKKTVGASQITQFX-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.22
Rot. Bonds6

About 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide

5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide (PubChem CID 113484035) has the molecular formula C9H16N2O4S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide.

Molecular Properties

Compound Name5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
PubChem CID113484035
Molecular FormulaC9H16N2O4S2
Molecular Weight280.37 g/mol
Exact Mass280.06
IUPAC Name5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide
SMILESCC(CNCc1ccc(S(N)(=O)=O)o1)S(C)=O
InChIInChI=1S/C9H16N2O4S2/c1-7(16(2)12)5-11-6-8-3-4-9(15-8)17(10,13)14/h3-4,7,11H,5-6H2,1-2H3,(H2,10,13,14)
InChIKeyAKKTVGASQITQFX-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-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]furan-2-sulfonamide
CID 102904622
5-[[(5-hydroxy-4-methylpentyl)amino]methyl]furan-2-sulfonamide
CID 106158296
5-[(4-hydroxybutylamino)methyl]furan-2-sulfonamide
CID 106841053
5,5,5-trifluoro-4-[[(5-sulfamoylfuran-2-yl)methylamino]methyl]pentanoic acid
CID 154876227
5-[[(3-hydroxy-4-methoxybutyl)amino]methyl]furan-2-sulfonamide
CID 106245527
5-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81351138
5-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]furan-2-sulfonamide
CID 106370676
N-[(2,6-dichlorophenyl)methyl]-2-methylsulfinylpropan-1-amine
CID 115763904
5-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]furan-2-sulfonamide
CID 81364945
5-[[[(1R)-1-cyclohexylethyl]amino]methyl]furan-2-sulfonamide
CID 81384910
2-[(5-sulfamoylfuran-2-yl)methylamino]ethyl carbamate
CID 83210287
N',N'-dimethyl-5-[(2-methylpropylamino)methyl]furan-2-sulfonohydrazide
CID 83025121

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide?
The IUPAC name of 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide (CID 113484035) is 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide.
What is the SMILES notation for 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide?
The canonical SMILES for 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide is CC(CNCc1ccc(S(N)(=O)=O)o1)S(C)=O.
What is the InChIKey of 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide?
The InChIKey is AKKTVGASQITQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4S2/c1-7(16(2)12)5-11-6-8-3-4-9(15-8)17(10,13)14/h3-4,7,11H,5-6H2,1-2H3,(H2,10,13,14).
What are the key properties of 5-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide?
5-[(2-methylsulfinylpropylamino)methyl]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-[(2-methylsulfinylpropylamino)methyl]furan-2-sulfonamide is sourced from PubChem (CID 113484035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).