5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide

C11H20N2O3S2 — CID 106083828

IUPAC5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C11H20N2O3S2/c1-4-9(7-17-3)13-18(14,15)11-5-10(6-12)16-8(11)2/h5,9,13H,4,6-7,12H2,1-3H3
InChIKeyYDSSJMWQDYXUQI-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.47
Rot. Bonds7

About 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide

5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide (PubChem CID 106083828) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
PubChem CID106083828
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC Name5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(CN)oc1C
InChIInChI=1S/C11H20N2O3S2/c1-4-9(7-17-3)13-18(14,15)11-5-10(6-12)16-8(11)2/h5,9,13H,4,6-7,12H2,1-3H3
InChIKeyYDSSJMWQDYXUQI-UHFFFAOYSA-N
XLogP1.47
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(aminomethyl)-2-bromo-N-(1-methylsulfanylbutan-2-yl)thiophene-3-sulfonamide
CID 106084006
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
5-(aminomethyl)-2-methyl-N-(3-methylpentan-3-yl)furan-3-sulfonamide
CID 114174620
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083895
5-(hydroxymethyl)-N-(1-methoxybutan-2-yl)-2-methylfuran-3-sulfonamide
CID 114135110
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
CID 106062422
4-(aminomethyl)-2-methoxy-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083935
5-(aminomethyl)-N-[2-(diethylamino)ethyl]-2-methylfuran-3-sulfonamide
CID 106034427

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide (CID 106083828) is 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide is CCC(CSC)NS(=O)(=O)c1cc(CN)oc1C.
What is the InChIKey of 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide?
The InChIKey is YDSSJMWQDYXUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-4-9(7-17-3)13-18(14,15)11-5-10(6-12)16-8(11)2/h5,9,13H,4,6-7,12H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide?
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide is sourced from PubChem (CID 106083828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).