2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide

C14H26N2O3S2 — CID 106068456

IUPAC2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1c(C)csc1CNCC
InChIInChI=1S/C14H26N2O3S2/c1-5-7-12(9-19-4)16-21(17,18)14-11(3)10-20-13(14)8-15-6-2/h10,12,15-16H,5-9H2,1-4H3
InChIKeyZBEFCSQFTRMUKO-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.26
Rot. Bonds10

About 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide

2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide (PubChem CID 106068456) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
PubChem CID106068456
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC Name2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1c(C)csc1CNCC
InChIInChI=1S/C14H26N2O3S2/c1-5-7-12(9-19-4)16-21(17,18)14-11(3)10-20-13(14)8-15-6-2/h10,12,15-16H,5-9H2,1-4H3
InChIKeyZBEFCSQFTRMUKO-UHFFFAOYSA-N
XLogP2.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
4-methyl-N-propan-2-yl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102751963
4-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106084023
2-(ethylaminomethyl)-4-methyl-N-[2-(2-methylpropoxy)ethyl]thiophene-3-sulfonamide
CID 106085306
2-(ethylaminomethyl)-4-methyl-N-pentylthiophene-3-sulfonamide
CID 106058141
2-(ethylaminomethyl)-4-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 106077447
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
2-(ethylaminomethyl)-4-methyl-N-(2-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106031339
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134
N-[2-(dimethylamino)propyl]-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 106017165
2-(ethylaminomethyl)-4-methyl-N-thiophen-3-ylthiophene-3-sulfonamide
CID 106069892

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide (CID 106068456) is 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide is CCCC(COC)NS(=O)(=O)c1c(C)csc1CNCC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide?
The InChIKey is ZBEFCSQFTRMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-5-7-12(9-19-4)16-21(17,18)14-11(3)10-20-13(14)8-15-6-2/h10,12,15-16H,5-9H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide?
2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide has a molecular weight of 334.51 g/mol, XLogP of 2.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(1-methoxypentan-2-yl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106068456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).