N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

C13H24N2O2S2 — CID 106055304

IUPACN-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C13H24N2O2S2/c1-5-7-11(6-2)15-19(16,17)13-10(3)9-18-12(13)8-14-4/h9,11,14-15H,5-8H2,1-4H3
InChIKeyVEUOZUHLKCQMNJ-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.63
Rot. Bonds8

About N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide

N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106055304) has the molecular formula C13H24N2O2S2 and a molecular weight of 304.48 g/mol. Its IUPAC name is N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106055304
Molecular FormulaC13H24N2O2S2
Molecular Weight304.48 g/mol
Exact Mass304.13
IUPAC NameN-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1c(C)csc1CNC
InChIInChI=1S/C13H24N2O2S2/c1-5-7-11(6-2)15-19(16,17)13-10(3)9-18-12(13)8-14-4/h9,11,14-15H,5-8H2,1-4H3
InChIKeyVEUOZUHLKCQMNJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
CID 106068456
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
4-methyl-2-(methylaminomethyl)-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 114138798
4-methyl-2-(methylaminomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-3-sulfonamide
CID 106050209
4-methyl-2-(methylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)thiophene-3-sulfonamide
CID 106050910
4-methyl-2-(methylaminomethyl)-N-(3-propoxypropyl)thiophene-3-sulfonamide
CID 106074140
2-(aminomethyl)-N-butan-2-yl-4-methylthiophene-3-sulfonamide
CID 102751985
4-methyl-2-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 102754672

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide (CID 106055304) is N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1c(C)csc1CNC.
What is the InChIKey of N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is VEUOZUHLKCQMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S2/c1-5-7-11(6-2)15-19(16,17)13-10(3)9-18-12(13)8-14-4/h9,11,14-15H,5-8H2,1-4H3.
What are the key properties of N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide?
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 304.48 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106055304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).