4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide

C11H20N2O3S2 — CID 114141965

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

About 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide

4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide (PubChem CID 114141965) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide
PubChem CID114141965
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide
SMILESCSC(C)CNS(=O)(=O)c1c(C)oc(C)c1CN
InChIInChI=1S/C11H20N2O3S2/c1-7(17-4)6-13-18(14,15)11-9(3)16-8(2)10(11)5-12/h7,13H,5-6,12H2,1-4H3
InChIKeySETCXJKLQWLOLM-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)-2,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)furan-3-sulfonamide
CID 114142062
4-(aminomethyl)-2,5-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]furan-3-sulfonamide
CID 106055578
4-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2,5-dimethylfuran-3-sulfonamide
CID 106054187
4-(aminomethyl)-2,5-dimethyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 106331727
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethylfuran-3-sulfonamide
CID 106064030
4-(aminomethyl)-2,5-dimethyl-N-(3-propoxypropyl)furan-3-sulfonamide
CID 106074131
4-(aminomethyl)-2,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)furan-3-sulfonamide
CID 106050903
4-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-2,5-dimethylfuran-3-sulfonamide
CID 106001600
4-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,5-dimethylfuran-3-sulfonamide
CID 106076915
4-(aminomethyl)-2,5-dimethyl-N-[2-(oxolan-3-yl)ethyl]furan-3-sulfonamide
CID 106092832
N-(3-methoxy-2-methylpropyl)-2,5-dimethyl-4-(methylaminomethyl)furan-3-sulfonamide
CID 106050786
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106087975

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide (CID 114141965) is 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide is CSC(C)CNS(=O)(=O)c1c(C)oc(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)furan-3-sulfonamide?
The InChIKey is SETCXJKLQWLOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-7(17-4)6-13-18(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-(2-methylsulfanylpropyl)furan-3-sulfonamide?
4-(aminomethyl)-2,5-dimethyl-N-(2-methylsulfanylpropyl)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-(2-methylsulfanylpropyl)furan-3-sulfonamide is sourced from PubChem (CID 114141965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).