5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide

C11H20N2O3S — CID 106059070

IUPAC5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C11H20N2O3S/c1-8(2)4-5-13-17(14,15)11-6-10(7-12)16-9(11)3/h6,8,13H,4-5,7,12H2,1-3H3
InChIKeyNVFDPIOUYIAZLJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.37
Rot. Bonds6

About 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide

5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide (PubChem CID 106059070) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
PubChem CID106059070
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
SMILESCc1oc(CN)cc1S(=O)(=O)NCCC(C)C
InChIInChI=1S/C11H20N2O3S/c1-8(2)4-5-13-17(14,15)11-6-10(7-12)16-9(11)3/h6,8,13H,4-5,7,12H2,1-3H3
InChIKeyNVFDPIOUYIAZLJ-UHFFFAOYSA-N
XLogP1.37
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059106
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427
5-(aminomethyl)-2-methyl-N-(2-piperidin-1-ylethyl)furan-3-sulfonamide
CID 106049664
5-(aminomethyl)-N-(2-cyclohexyloxyethyl)-2-methylfuran-3-sulfonamide
CID 106062887
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
5-(aminomethyl)-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106067984
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylfuran-3-sulfonamide
CID 106085167
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
CID 106062422
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide (CID 106059070) is 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide is Cc1oc(CN)cc1S(=O)(=O)NCCC(C)C.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
The InChIKey is NVFDPIOUYIAZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(2)4-5-13-17(14,15)11-6-10(7-12)16-9(11)3/h6,8,13H,4-5,7,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide is sourced from PubChem (CID 106059070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).