N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide

C11H20N2O3S2 — CID 112667287

IUPACN,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CCSC)c(C)o1
InChIInChI=1S/C11H20N2O3S2/c1-9-11(7-10(16-9)8-12-2)18(14,15)13(3)5-6-17-4/h7,12H,5-6,8H2,1-4H3
InChIKeyKFJQIYZJPBQZQF-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.29
Rot. Bonds7

About N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide

N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide (PubChem CID 112667287) has the molecular formula C11H20N2O3S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
PubChem CID112667287
Molecular FormulaC11H20N2O3S2
Molecular Weight292.43 g/mol
Exact Mass292.09
IUPAC NameN,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CCSC)c(C)o1
InChIInChI=1S/C11H20N2O3S2/c1-9-11(7-10(16-9)8-12-2)18(14,15)13(3)5-6-17-4/h7,12H,5-6,8H2,1-4H3
InChIKeyKFJQIYZJPBQZQF-UHFFFAOYSA-N
XLogP1.29
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988257
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)thiophene-2-sulfonamide
CID 112667235
5-amino-2,4-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656575
4-amino-N,2-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656554
4-(ethylaminomethyl)-N,2,5-trimethyl-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 115988305
5-(chloromethyl)-2,3-difluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 105118487
2,4-dimethyl-5-[methyl(2-methylsulfanylethyl)sulfamoyl]benzoic acid
CID 115985507
4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988407
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112657989
5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
CID 62804138
2-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112661404
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656600

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The IUPAC name of N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide (CID 112667287) is N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The canonical SMILES for N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)N(C)CCSC)c(C)o1.
What is the InChIKey of N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
The InChIKey is KFJQIYZJPBQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S2/c1-9-11(7-10(16-9)8-12-2)18(14,15)13(3)5-6-17-4/h7,12H,5-6,8H2,1-4H3.
What are the key properties of N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide?
N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide has a molecular weight of 292.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide is sourced from PubChem (CID 112667287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).