4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide

C13H22N2O3S2 — CID 106093906

IUPAC4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC2CCOC(C)C2)cc1C
InChIInChI=1S/C13H22N2O3S2/c1-9-6-13(19-12(9)8-14-3)20(16,17)15-11-4-5-18-10(2)7-11/h6,10-11,14-15H,4-5,7-8H2,1-3H3
InChIKeyFGVPOXPHBAOGHW-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.62
Rot. Bonds5

About 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide (PubChem CID 106093906) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
PubChem CID106093906
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC Name4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC2CCOC(C)C2)cc1C
InChIInChI=1S/C13H22N2O3S2/c1-9-6-13(19-12(9)8-14-3)20(16,17)15-11-4-5-18-10(2)7-11/h6,10-11,14-15H,4-5,7-8H2,1-3H3
InChIKeyFGVPOXPHBAOGHW-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106068843
N-(2,4-dimethylcyclohexyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106063403
5-(ethylaminomethyl)-4-methyl-N-(3-methylcyclopentyl)thiophene-2-sulfonamide
CID 114551969
5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
CID 106094017
3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093867
4-methyl-N-(oxolan-3-yl)-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106072586
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840
5-(ethylaminomethyl)-4-methyl-N-(3-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 106092143
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093981
5-bromo-4-[(2-methyloxan-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 104654800

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide (CID 106093906) is 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NC2CCOC(C)C2)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide?
The InChIKey is FGVPOXPHBAOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-9-6-13(19-12(9)8-14-3)20(16,17)15-11-4-5-18-10(2)7-11/h6,10-11,14-15H,4-5,7-8H2,1-3H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106093906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).