4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

C11H20N2O2S3 — CID 106079604

IUPAC4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC(C)CSC)cc1C
InChIInChI=1S/C11H20N2O2S3/c1-8-5-11(17-10(8)6-12-3)18(14,15)13-9(2)7-16-4/h5,9,12-13H,6-7H2,1-4H3
InChIKeySAXXQXOAXZXSGA-UHFFFAOYSA-N
MW308.49 g/mol
LogP1.81
Rot. Bonds7

About 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide

4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (PubChem CID 106079604) has the molecular formula C11H20N2O2S3 and a molecular weight of 308.49 g/mol. Its IUPAC name is 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
PubChem CID106079604
Molecular FormulaC11H20N2O2S3
Molecular Weight308.49 g/mol
Exact Mass308.07
IUPAC Name4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide
SMILESCNCc1sc(S(=O)(=O)NC(C)CSC)cc1C
InChIInChI=1S/C11H20N2O2S3/c1-8-5-11(17-10(8)6-12-3)18(14,15)13-9(2)7-16-4/h5,9,12-13H,6-7H2,1-4H3
InChIKeySAXXQXOAXZXSGA-UHFFFAOYSA-N
XLogP1.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethoxypropan-2-yl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106054220
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840
4-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 114141439
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003829
N-[1-(1H-imidazol-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106085006
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(ethylaminomethyl)-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 106018782
N-(4-methoxybutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106067648
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106079253
5-(aminomethyl)-N-(1-methoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 114141055

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide (CID 106079604) is 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is CNCc1sc(S(=O)(=O)NC(C)CSC)cc1C.
What is the InChIKey of 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is SAXXQXOAXZXSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S3/c1-8-5-11(17-10(8)6-12-3)18(14,15)13-9(2)7-16-4/h5,9,12-13H,6-7H2,1-4H3.
What are the key properties of 4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide?
4-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 308.49 g/mol, XLogP of 1.81, 7 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-(1-methylsulfanylpropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 106079604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).