4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide

C14H20N2O2S3 — CID 106050209

IUPAC4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C14H20N2O2S3/c1-9-8-19-13(7-15-4)14(9)21(17,18)16-11(3)12-6-5-10(2)20-12/h5-6,8,11,15-16H,7H2,1-4H3
InChIKeyVIIIIHURTXTRPA-UHFFFAOYSA-N
MW344.53 g/mol
LogP3.19
Rot. Bonds6

About 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide

4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide (PubChem CID 106050209) has the molecular formula C14H20N2O2S3 and a molecular weight of 344.53 g/mol. Its IUPAC name is 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
PubChem CID106050209
Molecular FormulaC14H20N2O2S3
Molecular Weight344.53 g/mol
Exact Mass344.07
IUPAC Name4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
SMILESCNCc1scc(C)c1S(=O)(=O)NC(C)c1ccc(C)s1
InChIInChI=1S/C14H20N2O2S3/c1-9-8-19-13(7-15-4)14(9)21(17,18)16-11(3)12-6-5-10(2)20-12/h5-6,8,11,15-16H,7H2,1-4H3
InChIKeyVIIIIHURTXTRPA-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-sulfonamide
CID 106050373
5-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106050171
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
2-(ethylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050317
N-[1-(furan-2-yl)propan-2-yl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 102752631
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106003829
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672
N-[(5-ethylthiophen-2-yl)methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094597
N-(2,6-dichlorophenyl)-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106066930
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide (CID 106050209) is 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide is CNCc1scc(C)c1S(=O)(=O)NC(C)c1ccc(C)s1.
What is the InChIKey of 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
The InChIKey is VIIIIHURTXTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S3/c1-9-8-19-13(7-15-4)14(9)21(17,18)16-11(3)12-6-5-10(2)20-12/h5-6,8,11,15-16H,7H2,1-4H3.
What are the key properties of 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide?
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide has a molecular weight of 344.53 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106050209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).