4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide

C11H20N2O3S2 — CID 114142062

IUPAC4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
SMILESCSCC(C)NS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C11H20N2O3S2/c1-7(6-17-4)13-18(14,15)11-9(3)16-8(2)10(11)5-12/h7,13H,5-6,12H2,1-4H3
InChIKeySVHQXUMWKLBGTB-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.38
Rot. Bonds6

About 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide

4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide (PubChem CID 114142062) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
PubChem CID114142062
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
SMILESCSCC(C)NS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C11H20N2O3S2/c1-7(6-17-4)13-18(14,15)11-9(3)16-8(2)10(11)5-12/h7,13H,5-6,12H2,1-4H3
InChIKeySVHQXUMWKLBGTB-UHFFFAOYSA-N
XLogP1.38
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106054187
4-(aminomethyl)-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)furan-3-sulfonamide
CID 106050903
4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide
CID 114141965
4-(aminomethyl)-2,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)furan-3-sulfonamide
CID 106004118
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
4-(ethylaminomethyl)-2,5-dimethyl-N-(4-methylpentan-2-yl)furan-3-sulfonamide
CID 106028812
4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 106331727
4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 107328140
N-(1-ethoxypropan-2-yl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106054301
4-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-2,5-dimethylfuran-3-sulfonamide
CID 106091492
4-(ethylaminomethyl)-2,5-dimethyl-N-pentan-3-ylfuran-3-sulfonamide
CID 106032220
4-(aminomethyl)-N-(2-bromophenyl)-2,5-dimethylfuran-3-sulfonamide
CID 106061164

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide (CID 114142062) is 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide is CSCC(C)NS(=O)(=O)c1c(C)oc(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide?
The InChIKey is SVHQXUMWKLBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-7(6-17-4)13-18(14,15)11-9(3)16-8(2)10(11)5-12/h7,13H,5-6,12H2,1-4H3.
What are the key properties of 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide?
4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 114142062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).